4-(3-cyclohexylpentyl)-1,2-di(propan-2-yl)cyclohexane;ethene

C25H48 — CID 142338011

IUPAC4-(3-cyclohexylpentyl)-1,2-di(propan-2-yl)cyclohexane;ethene
SMILESC=C.CCC(CCC1CCC(C(C)C)C(C(C)C)C1)C1CCCCC1
InChIInChI=1S/C23H44.C2H4/c1-6-20(21-10-8-7-9-11-21)14-12-19-13-15-22(17(2)3)23(16-19)18(4)5;1-2/h17-23H,6-16H2,1-5H3;1-2H2
InChIKeyGATCUYGVWDJUNE-UHFFFAOYSA-N
MW348.66 g/mol
LogP8.52
Rot. Bonds7

About 4-(3-cyclohexylpentyl)-1,2-di(propan-2-yl)cyclohexane;ethene

4-(3-cyclohexylpentyl)-1,2-di(propan-2-yl)cyclohexane;ethene (PubChem CID 142338011) has the molecular formula C25H48 and a molecular weight of 348.66 g/mol. Its IUPAC name is 4-(3-cyclohexylpentyl)-1,2-di(propan-2-yl)cyclohexane;ethene.

Molecular Properties

Compound Name4-(3-cyclohexylpentyl)-1,2-di(propan-2-yl)cyclohexane;ethene
PubChem CID142338011
Molecular FormulaC25H48
Molecular Weight348.66 g/mol
Exact Mass348.38
IUPAC Name4-(3-cyclohexylpentyl)-1,2-di(propan-2-yl)cyclohexane;ethene
SMILESC=C.CCC(CCC1CCC(C(C)C)C(C(C)C)C1)C1CCCCC1
InChIInChI=1S/C23H44.C2H4/c1-6-20(21-10-8-7-9-11-21)14-12-19-13-15-22(17(2)3)23(16-19)18(4)5;1-2/h17-23H,6-16H2,1-5H3;1-2H2
InChIKeyGATCUYGVWDJUNE-UHFFFAOYSA-N
XLogP8.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.66
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(3-cyclohexylpentyl)-1,2-di(propan-2-yl)cyclohexane;ethene 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

7-cyclohexylheptan-3-ylcyclohexane
CID 90866446
1-cyclopropylbutan-2-ylcyclopentane
CID 142060963
5-cyclohexylheptan-2-ol
CID 89364025
4-cyclohexyl-2-cyclopentyl-N-ethylbutan-1-amine
CID 114192566
3-(3-cyclopropylpentyl)azetidine
CID 126661924
(2S)-2-cyclooctylbutan-1-ol
CID 122210665
4-(2-cyclohexylbutyl)cyclohexan-1-ol
CID 143270572
2,4-dicyclopentyl-N-propan-2-ylbutan-1-amine
CID 114192567
1-(2-propan-2-ylcyclopentyl)ethylcyclohexane
CID 142386797
[(3S)-5-methylhexan-3-yl]cyclopentane
CID 152864730
1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane
CID 159304571
4-cyclohexylhexan-2-ol
CID 11830109

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexylpentyl)-1,2-di(propan-2-yl)cyclohexane;ethene?
The IUPAC name of 4-(3-cyclohexylpentyl)-1,2-di(propan-2-yl)cyclohexane;ethene (CID 142338011) is 4-(3-cyclohexylpentyl)-1,2-di(propan-2-yl)cyclohexane;ethene.
What is the SMILES notation for 4-(3-cyclohexylpentyl)-1,2-di(propan-2-yl)cyclohexane;ethene?
The canonical SMILES for 4-(3-cyclohexylpentyl)-1,2-di(propan-2-yl)cyclohexane;ethene is C=C.CCC(CCC1CCC(C(C)C)C(C(C)C)C1)C1CCCCC1.
What is the InChIKey of 4-(3-cyclohexylpentyl)-1,2-di(propan-2-yl)cyclohexane;ethene?
The InChIKey is GATCUYGVWDJUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44.C2H4/c1-6-20(21-10-8-7-9-11-21)14-12-19-13-15-22(17(2)3)23(16-19)18(4)5;1-2/h17-23H,6-16H2,1-5H3;1-2H2.
What are the key properties of 4-(3-cyclohexylpentyl)-1,2-di(propan-2-yl)cyclohexane;ethene?
4-(3-cyclohexylpentyl)-1,2-di(propan-2-yl)cyclohexane;ethene has a molecular weight of 348.66 g/mol, XLogP of 8.52, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexylpentyl)-1,2-di(propan-2-yl)cyclohexane;ethene is sourced from PubChem (CID 142338011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).