1-[2-(4-ethylcyclohex-3-en-1-yl)ethyl]-4-(4-ethylcyclohexyl)benzene

C24H36 — CID 139648653

IUPAC1-[2-(4-ethylcyclohex-3-en-1-yl)ethyl]-4-(4-ethylcyclohexyl)benzene
SMILESCCC1=CCC(CCc2ccc(C3CCC(CC)CC3)cc2)CC1
InChIInChI=1S/C24H36/c1-3-19-5-7-21(8-6-19)9-10-22-13-17-24(18-14-22)23-15-11-20(4-2)12-16-23/h5,13-14,17-18,20-21,23H,3-4,6-12,15-16H2,1-2H3
InChIKeyPSLYTRQITOHNLV-UHFFFAOYSA-N
MW324.55 g/mol
LogP7.44
Rot. Bonds6

About 1-[2-(4-ethylcyclohex-3-en-1-yl)ethyl]-4-(4-ethylcyclohexyl)benzene

1-[2-(4-ethylcyclohex-3-en-1-yl)ethyl]-4-(4-ethylcyclohexyl)benzene (PubChem CID 139648653) has the molecular formula C24H36 and a molecular weight of 324.55 g/mol. Its IUPAC name is 1-[2-(4-ethylcyclohex-3-en-1-yl)ethyl]-4-(4-ethylcyclohexyl)benzene.

Molecular Properties

Compound Name1-[2-(4-ethylcyclohex-3-en-1-yl)ethyl]-4-(4-ethylcyclohexyl)benzene
PubChem CID139648653
Molecular FormulaC24H36
Molecular Weight324.55 g/mol
Exact Mass324.28
IUPAC Name1-[2-(4-ethylcyclohex-3-en-1-yl)ethyl]-4-(4-ethylcyclohexyl)benzene
SMILESCCC1=CCC(CCc2ccc(C3CCC(CC)CC3)cc2)CC1
InChIInChI=1S/C24H36/c1-3-19-5-7-21(8-6-19)9-10-22-13-17-24(18-14-22)23-15-11-20(4-2)12-16-23/h5,13-14,17-18,20-21,23H,3-4,6-12,15-16H2,1-2H3
InChIKeyPSLYTRQITOHNLV-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 54218031
1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19988035
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
1-ethyl-4-[[4-[(4-ethylcyclohexyl)methyl]cyclohexen-1-yl]methyl]benzene
CID 59265544
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene
CID 19987944
1-(3-methylidenepentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohex-3-en-1-yl]benzene
CID 22131658
1-(4-ethylcyclohexyl)-4-[2-(4-hexylcyclohexen-1-yl)ethynyl]benzene
CID 19984512
2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
CID 67980435
1-ethoxy-4-[2-(4-ethylcyclohexen-1-yl)ethyl]benzene
CID 19987971
1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene
CID 19987957

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylcyclohex-3-en-1-yl)ethyl]-4-(4-ethylcyclohexyl)benzene?
The IUPAC name of 1-[2-(4-ethylcyclohex-3-en-1-yl)ethyl]-4-(4-ethylcyclohexyl)benzene (CID 139648653) is 1-[2-(4-ethylcyclohex-3-en-1-yl)ethyl]-4-(4-ethylcyclohexyl)benzene.
What is the SMILES notation for 1-[2-(4-ethylcyclohex-3-en-1-yl)ethyl]-4-(4-ethylcyclohexyl)benzene?
The canonical SMILES for 1-[2-(4-ethylcyclohex-3-en-1-yl)ethyl]-4-(4-ethylcyclohexyl)benzene is CCC1=CCC(CCc2ccc(C3CCC(CC)CC3)cc2)CC1.
What is the InChIKey of 1-[2-(4-ethylcyclohex-3-en-1-yl)ethyl]-4-(4-ethylcyclohexyl)benzene?
The InChIKey is PSLYTRQITOHNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36/c1-3-19-5-7-21(8-6-19)9-10-22-13-17-24(18-14-22)23-15-11-20(4-2)12-16-23/h5,13-14,17-18,20-21,23H,3-4,6-12,15-16H2,1-2H3.
What are the key properties of 1-[2-(4-ethylcyclohex-3-en-1-yl)ethyl]-4-(4-ethylcyclohexyl)benzene?
1-[2-(4-ethylcyclohex-3-en-1-yl)ethyl]-4-(4-ethylcyclohexyl)benzene has a molecular weight of 324.55 g/mol, XLogP of 7.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylcyclohex-3-en-1-yl)ethyl]-4-(4-ethylcyclohexyl)benzene is sourced from PubChem (CID 139648653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).