1-[1,1-bis(4-methylcyclohexyl)prop-1-en-2-yl]-4-methylcyclohexane

C24H42 — CID 140550481

IUPAC1-[1,1-bis(4-methylcyclohexyl)prop-1-en-2-yl]-4-methylcyclohexane
SMILESCC(=C(C1CCC(C)CC1)C1CCC(C)CC1)C1CCC(C)CC1
InChIInChI=1S/C24H42/c1-17-5-11-21(12-6-17)20(4)24(22-13-7-18(2)8-14-22)23-15-9-19(3)10-16-23/h17-19,21-23H,5-16H2,1-4H3
InChIKeyVPESUKDYNLVPGK-UHFFFAOYSA-N
MW330.60 g/mol
LogP7.78
Rot. Bonds3

About 1-[1,1-bis(4-methylcyclohexyl)prop-1-en-2-yl]-4-methylcyclohexane

1-[1,1-bis(4-methylcyclohexyl)prop-1-en-2-yl]-4-methylcyclohexane (PubChem CID 140550481) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 1-[1,1-bis(4-methylcyclohexyl)prop-1-en-2-yl]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[1,1-bis(4-methylcyclohexyl)prop-1-en-2-yl]-4-methylcyclohexane
PubChem CID140550481
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name1-[1,1-bis(4-methylcyclohexyl)prop-1-en-2-yl]-4-methylcyclohexane
SMILESCC(=C(C1CCC(C)CC1)C1CCC(C)CC1)C1CCC(C)CC1
InChIInChI=1S/C24H42/c1-17-5-11-21(12-6-17)20(4)24(22-13-7-18(2)8-14-22)23-15-9-19(3)10-16-23/h17-19,21-23H,5-16H2,1-4H3
InChIKeyVPESUKDYNLVPGK-UHFFFAOYSA-N
XLogP7.78
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 ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[1,1-bis(4-methylcyclohexyl)prop-1-en-2-yl]-4-methylcyclohexane 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

1,4-dimethylcyclohexane;methanol
CID 70358527
bis(1,4-dimethylcyclohexane);methane
CID 161326462
1-(3,4-dimethylpenta-1,3-dien-2-yl)-4-methylcyclohexane
CID 163611322
CID 173230624
CID 173230624
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
indium(3+);tris(4-methylcyclohexane-1-carboxylate)
CID 22604168
isocyanic acid;1-methyl-4-prop-1-en-2-ylcyclohexane
CID 87750066
CID 153385207
CID 153385207
4-methylcyclohexan-1-ol
CID 11524
ethane;methylcyclopropane
CID 158329065
1-chloro-4-methylcyclooctane
CID 123842741

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis(4-methylcyclohexyl)prop-1-en-2-yl]-4-methylcyclohexane?
The IUPAC name of 1-[1,1-bis(4-methylcyclohexyl)prop-1-en-2-yl]-4-methylcyclohexane (CID 140550481) is 1-[1,1-bis(4-methylcyclohexyl)prop-1-en-2-yl]-4-methylcyclohexane.
What is the SMILES notation for 1-[1,1-bis(4-methylcyclohexyl)prop-1-en-2-yl]-4-methylcyclohexane?
The canonical SMILES for 1-[1,1-bis(4-methylcyclohexyl)prop-1-en-2-yl]-4-methylcyclohexane is CC(=C(C1CCC(C)CC1)C1CCC(C)CC1)C1CCC(C)CC1.
What is the InChIKey of 1-[1,1-bis(4-methylcyclohexyl)prop-1-en-2-yl]-4-methylcyclohexane?
The InChIKey is VPESUKDYNLVPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-17-5-11-21(12-6-17)20(4)24(22-13-7-18(2)8-14-22)23-15-9-19(3)10-16-23/h17-19,21-23H,5-16H2,1-4H3.
What are the key properties of 1-[1,1-bis(4-methylcyclohexyl)prop-1-en-2-yl]-4-methylcyclohexane?
1-[1,1-bis(4-methylcyclohexyl)prop-1-en-2-yl]-4-methylcyclohexane has a molecular weight of 330.60 g/mol, XLogP of 7.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-bis(4-methylcyclohexyl)prop-1-en-2-yl]-4-methylcyclohexane is sourced from PubChem (CID 140550481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).