5-ethyl-7a-methyl-4-[2-(3-methylcyclohexylidene)ethylidene]-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-indene

C24H40 — CID 91294530

IUPAC5-ethyl-7a-methyl-4-[2-(3-methylcyclohexylidene)ethylidene]-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-indene
SMILESCCC1CCC2(C)C(CCC2C(C)C)C1=CC=C1CCCC(C)C1
InChIInChI=1S/C24H40/c1-6-20-14-15-24(5)22(17(2)3)12-13-23(24)21(20)11-10-19-9-7-8-18(4)16-19/h10-11,17-18,20,22-23H,6-9,12-16H2,1-5H3
InChIKeyIAHOTXUQBUUOJF-UHFFFAOYSA-N
MW328.58 g/mol
LogP7.56
Rot. Bonds3

About 5-ethyl-7a-methyl-4-[2-(3-methylcyclohexylidene)ethylidene]-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-indene

5-ethyl-7a-methyl-4-[2-(3-methylcyclohexylidene)ethylidene]-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-indene (PubChem CID 91294530) has the molecular formula C24H40 and a molecular weight of 328.58 g/mol. Its IUPAC name is 5-ethyl-7a-methyl-4-[2-(3-methylcyclohexylidene)ethylidene]-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-indene.

Molecular Properties

Compound Name5-ethyl-7a-methyl-4-[2-(3-methylcyclohexylidene)ethylidene]-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-indene
PubChem CID91294530
Molecular FormulaC24H40
Molecular Weight328.58 g/mol
Exact Mass328.31
IUPAC Name5-ethyl-7a-methyl-4-[2-(3-methylcyclohexylidene)ethylidene]-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-indene
SMILESCCC1CCC2(C)C(CCC2C(C)C)C1=CC=C1CCCC(C)C1
InChIInChI=1S/C24H40/c1-6-20-14-15-24(5)22(17(2)3)12-13-23(24)21(20)11-10-19-9-7-8-18(4)16-19/h10-11,17-18,20,22-23H,6-9,12-16H2,1-5H3
InChIKeyIAHOTXUQBUUOJF-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-ethyl-7a-methyl-4-[2-(3-methylcyclohexylidene)ethylidene]-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-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

(3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]cyclohexan-1-ol
CID 143431459
(3E)-2-(7,7-difluoro-3,4-dimethylheptyl)-1,1-dimethyl-3-[(2Z)-2-(3-methylcyclohexylidene)ethylidene]cyclohexane;2,2-dimethylpropane
CID 145194532
(1R,3aS,4E,7aR)-1-[(2R)-heptan-2-yl]-7a-methyl-4-[2-[(3R,5R)-3,4,5-trimethylcyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 59859775
(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexan-1-ol
CID 87627665
trans-(1R,3R)-5-[(2E)-2-[(3aS,7aR)-1-[(2S)-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylcyclohexane-1,3-diol
CID 88891634
6-[7a-methyl-4-[2-(3-methyl-5-pentan-2-ylcyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylheptan-2-ol
CID 91455412
3,4,4,10,13-pentamethyl-17-propan-2-yl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
CID 143115274
(2S,5Z)-5-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylcyclohexan-1-ol
CID 142820667
(3S,10R,13R,17R)-3,10,13-trimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 59891595
(3-methylcyclohexylidene)methanamine
CID 67680642
(3aS,4E)-1-(1-chloropropan-2-yl)-4-[2-[(3R)-4-ethylidene-3,5-dimethylcyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene;ethane
CID 143719464
trans-(1R,3R)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(2S)-4-hydroxy-4-methylpentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylcyclohexane-1,3-diol
CID 88928364

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7a-methyl-4-[2-(3-methylcyclohexylidene)ethylidene]-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-indene?
The IUPAC name of 5-ethyl-7a-methyl-4-[2-(3-methylcyclohexylidene)ethylidene]-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-indene (CID 91294530) is 5-ethyl-7a-methyl-4-[2-(3-methylcyclohexylidene)ethylidene]-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-indene.
What is the SMILES notation for 5-ethyl-7a-methyl-4-[2-(3-methylcyclohexylidene)ethylidene]-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-indene?
The canonical SMILES for 5-ethyl-7a-methyl-4-[2-(3-methylcyclohexylidene)ethylidene]-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-indene is CCC1CCC2(C)C(CCC2C(C)C)C1=CC=C1CCCC(C)C1.
What is the InChIKey of 5-ethyl-7a-methyl-4-[2-(3-methylcyclohexylidene)ethylidene]-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-indene?
The InChIKey is IAHOTXUQBUUOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40/c1-6-20-14-15-24(5)22(17(2)3)12-13-23(24)21(20)11-10-19-9-7-8-18(4)16-19/h10-11,17-18,20,22-23H,6-9,12-16H2,1-5H3.
What are the key properties of 5-ethyl-7a-methyl-4-[2-(3-methylcyclohexylidene)ethylidene]-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-indene?
5-ethyl-7a-methyl-4-[2-(3-methylcyclohexylidene)ethylidene]-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-indene has a molecular weight of 328.58 g/mol, XLogP of 7.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7a-methyl-4-[2-(3-methylcyclohexylidene)ethylidene]-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-indene is sourced from PubChem (CID 91294530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).