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Structure & Deep Data of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester (C7H15NO3)

Identification of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester Chemical Compound

2D chemical structure image of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester
Chemical Formula C7H15NO3
Molecular Weight 161.1989 g/mol
IUPAC Name 3-hydroxy-2,2-dimethylpropyl N-methylcarbamate
SMILES String CNC(=O)OCC(C)(C)CO
InChI InChI=1S/C7H15NO3/c1-7(2,4-9)5-11-6(10)8-3/h9H,4-5H2,1-3H3,(H,8,10)
InChIKey NWWNKQSSEGYLTE-UHFFFAOYSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester molecule contains a total of 25 bond(s). There are 10 non-H bond(s), 1 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 1 (thio-) carbamate(s) (aliphatic), 1 hydroxyl group(s), and 1 primary alcohol(s). Images of the chemical structure of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester are given below:

2D chemical structure image of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester
2-dimensional (2D) chemical structure image of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester
3D chemical structure image of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester
3-dimensional (3D) chemical structure image of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester

The 2D chemical structure image of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester. Download structure data file (SDF/MOL) file of this compound.


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Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester is provided here.

The Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.


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Additional Information for Identifying Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester Molecule

  • Other names (synonyms) or registry numbers of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester

    The Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester including the various registry numbers, if available:

    • MFCD09608115
    • 2,2-Dimethyl-3-methylcarbamoyloxy-propanol-(1)
    • 25462-11-7
    • Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester
    • M67176

Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester?
C7H15NO3
How many atoms and what are the elements included the Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester molecule?
26 atom(s) - 15 Hydrogen atom(s), 7 Carbon atom(s), 1 Nitrogen atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester structure?
25 bond(s) - 10 non-H bond(s), 1 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 1 (thio-) carbamate(s) (aliphatic), 1 hydroxyl group(s), and 1 primary alcohol(s)
What’s the Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester’s molecular weight?
161.1989 g/mol
What’s the SMILES code of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester?
CNC(=O)OCC(C)(C)CO
What’s the InChI string of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester?
InChI=1S/C7H15NO3/c1-7(2,4-9)5-11-6(10)8-3/h9H,4-5H2,1-3H3,(H,8,10)
What’s the InChIKey code of Methyl-carbamic acid 3-hydroxy-2,2-dimethyl-propyl ester?
NWWNKQSSEGYLTE-UHFFFAOYSA-N

22 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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