2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2,3-dimethylbutan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C24H42 — CID 59955489

IUPAC2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2,3-dimethylbutan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC(C)(C1CC2CCCCC2C1)C(C)(C)C1CC2CCCCC2C1
InChIInChI=1S/C24H42/c1-23(2,21-13-17-9-5-6-10-18(17)14-21)24(3,4)22-15-19-11-7-8-12-20(19)16-22/h17-22H,5-16H2,1-4H3
InChIKeyMWFUGDDALUNOLT-UHFFFAOYSA-N
MW330.60 g/mol
LogP7.47
Rot. Bonds3

About 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2,3-dimethylbutan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2,3-dimethylbutan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 59955489) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2,3-dimethylbutan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2,3-dimethylbutan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID59955489
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2,3-dimethylbutan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC(C)(C1CC2CCCCC2C1)C(C)(C)C1CC2CCCCC2C1
InChIInChI=1S/C24H42/c1-23(2,21-13-17-9-5-6-10-18(17)14-21)24(3,4)22-15-19-11-7-8-12-20(19)16-22/h17-22H,5-16H2,1-4H3
InChIKeyMWFUGDDALUNOLT-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2,3-dimethylbutan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine
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1,3-bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2-methylpropan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2,3-dimethylbutan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2,3-dimethylbutan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 59955489) is 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2,3-dimethylbutan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2,3-dimethylbutan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2,3-dimethylbutan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CC(C)(C1CC2CCCCC2C1)C(C)(C)C1CC2CCCCC2C1.
What is the InChIKey of 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2,3-dimethylbutan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is MWFUGDDALUNOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-23(2,21-13-17-9-5-6-10-18(17)14-21)24(3,4)22-15-19-11-7-8-12-20(19)16-22/h17-22H,5-16H2,1-4H3.
What are the key properties of 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2,3-dimethylbutan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2,3-dimethylbutan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 330.60 g/mol, XLogP of 7.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2,3-dimethylbutan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 59955489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).