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SDF/Mol File of (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate (C20H30O3)

Identification of (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate Chemical Compound

2D chemical structure image of (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate
Chemical Formula C20H30O3
Molecular Weight 318.4504 g/mol
IUPAC Name (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate
SMILES String CC=CCC1=C(C)C(CC1=O)OC(=O)C2C(CC(C)C)C2(C)C
InChI InChI=1S/C20H30O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,12,15,17-18H,9-11H2,1-6H3/b8-7-/t15-,17+,18+/m1/s1
InChIKey JMDHWRPOSWALHN-DFKXKMKHSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image of (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate
Ball-and-stick model of (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate

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Additional Information for Identifying (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate Molecule

  • Other names (synonyms) or registry numbers of (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate

    The (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate including the registry numbers are listed below, if available:



    None available.


(1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate Identification Summary Frequently Asked Questions (FAQs)

What’s the (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate formula?
C20H30O3
How many atoms and what elements are included in the (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate molecule?
53 atom(s) - 30 Hydrogen atom(s), 20 Carbon atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate structure?
54 bond(s) - 24 non-H bond(s), 4 multiple bond(s), 7 rotatable bond(s), 4 double bond(s), 1 three-membered ring(s), 1 five-membered ring(s), 1 ester(s) (aliphatic), and 1 ketone(s) (aliphatic)
What’s the (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate’s molar mass?
318.4504 g/mol
What’s the SMILES structure of (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate?
CC=CCC1=C(C)C(CC1=O)OC(=O)C2C(CC(C)C)C2(C)C
What’s the InChI code of (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate?
InChI=1S/C20H30O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,12,15,17-18H,9-11H2,1-6H3/b8-7-/t15-,17+,18+/m1/s1
What’s the InChIKey format of (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxylate?
JMDHWRPOSWALHN-DFKXKMKHSA-N

31 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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