1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene

C40H60 — CID 145309431

IUPAC1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESC=CC1CCC(C2CCC(CCC)CC2)CC1.CCCC1CCC(c2ccc(-c3ccc(CC)cc3)cc2)CC1
InChIInChI=1S/C23H30.C17H30/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h6-7,10-11,14-17,19,21H,3-5,8-9,12-13H2,1-2H3;4,14-17H,2-3,5-13H2,1H3
InChIKeyAVCAKTPVXSBUQQ-UHFFFAOYSA-N
MW540.92 g/mol
LogP12.58
Rot. Bonds9

About 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene

1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene (PubChem CID 145309431) has the molecular formula C40H60 and a molecular weight of 540.92 g/mol. Its IUPAC name is 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
PubChem CID145309431
Molecular FormulaC40H60
Molecular Weight540.92 g/mol
Exact Mass540.47
IUPAC Name1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESC=CC1CCC(C2CCC(CCC)CC2)CC1.CCCC1CCC(c2ccc(-c3ccc(CC)cc3)cc2)CC1
InChIInChI=1S/C23H30.C17H30/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h6-7,10-11,14-17,19,21H,3-5,8-9,12-13H2,1-2H3;4,14-17H,2-3,5-13H2,1H3
InChIKeyAVCAKTPVXSBUQQ-UHFFFAOYSA-N
XLogP12.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.92
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene 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-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
5-[4-(4-butylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 161080004
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
1-ethyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
CID 141224926
1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
CID 173068049
1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene
CID 144658300
2-(4-prop-2-enylphenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837174
1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
CID 58932728
2-ethenyl-6-(4-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384906
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;1-methyl-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 158284367
1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 21265136
1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexylidene)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-(4-ethylphenyl)-2,3-difluoro-4-(4-propylphenyl)benzene
CID 162198901

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene (CID 145309431) is 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene is C=CC1CCC(C2CCC(CCC)CC2)CC1.CCCC1CCC(c2ccc(-c3ccc(CC)cc3)cc2)CC1.
What is the InChIKey of 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The InChIKey is AVCAKTPVXSBUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30.C17H30/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h6-7,10-11,14-17,19,21H,3-5,8-9,12-13H2,1-2H3;4,14-17H,2-3,5-13H2,1H3.
What are the key properties of 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene?
1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene has a molecular weight of 540.92 g/mol, XLogP of 12.58, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 145309431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).