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SDF/Mol File of 4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione (C15H21NO3)

Identification of 4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione Chemical Compound

2D chemical structure image of 4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione
Chemical Formula C15H21NO3
Molecular Weight 263.33214 g/mol
IUPAC Name 4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione
SMILES String CC(C)c2c(O)c1C(=O)CC(C)(C)Cc1n(C)c2=O
InChI InChI=1S/C15H21NO3/c1-8(2)11-13(18)12-9(16(5)14(11)19)6-15(3,4)7-10(12)17/h8,18H,6-7H2,1-5H3
InChIKey IAKJMULBLZRHFD-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione 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 4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione 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 4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione
Ball-and-stick model of 4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying 4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione Molecule

  • Other names (synonyms) or registry numbers of 4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

    The 4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione including the registry numbers are listed below, if available:



    None available.


4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione Identification Summary Frequently Asked Questions (FAQs)

What’s the 4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione formula?
C15H21NO3
How many atoms and what elements are included in the 4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione molecule?
40 atom(s) - 21 Hydrogen atom(s), 15 Carbon atom(s), 1 Nitrogen atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the 4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione structure?
41 bond(s) - 20 non-H bond(s), 4 multiple bond(s), 1 rotatable bond(s), 4 double bond(s), 2 six-membered ring(s), 1 ten-membered ring(s), 1 tertiary amide(s) (aliphatic), 1 ketone(s) (aliphatic), and 1 hydroxyl group(s)
What’s the 4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione’s molar mass?
263.33214 g/mol
What’s the SMILES structure of 4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione?
CC(C)c2c(O)c1C(=O)CC(C)(C)Cc1n(C)c2=O
What’s the InChI code of 4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione?
InChI=1S/C15H21NO3/c1-8(2)11-13(18)12-9(16(5)14(11)19)6-15(3,4)7-10(12)17/h8,18H,6-7H2,1-5H3
What’s the InChIKey format of 4-hydroxy-1,7,7-trimethyl-3-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione?
IAKJMULBLZRHFD-UHFFFAOYSA-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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