1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene

C28H44 — CID 18647721

IUPAC1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
SMILESCCCCCCC1CCC(C2CC=C(CCc3ccc(CC)cc3)CC2)CC1
InChIInChI=1S/C28H44/c1-3-5-6-7-8-24-15-19-27(20-16-24)28-21-17-26(18-22-28)14-13-25-11-9-23(4-2)10-12-25/h9-12,17,24,27-28H,3-8,13-16,18-22H2,1-2H3
InChIKeyUPJFAYJUOLKTCD-UHFFFAOYSA-N
MW380.66 g/mol
LogP8.68
Rot. Bonds10

About 1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene

1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene (PubChem CID 18647721) has the molecular formula C28H44 and a molecular weight of 380.66 g/mol. Its IUPAC name is 1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
PubChem CID18647721
Molecular FormulaC28H44
Molecular Weight380.66 g/mol
Exact Mass380.34
IUPAC Name1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
SMILESCCCCCCC1CCC(C2CC=C(CCc3ccc(CC)cc3)CC2)CC1
InChIInChI=1S/C28H44/c1-3-5-6-7-8-24-15-19-27(20-16-24)28-21-17-26(18-22-28)14-13-25-11-9-23(4-2)10-12-25/h9-12,17,24,27-28H,3-8,13-16,18-22H2,1-2H3
InChIKeyUPJFAYJUOLKTCD-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19987930
1-butoxy-4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988235
2-fluoro-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-1-methylbenzene
CID 18647719
1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988281
2-fluoro-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-1-methoxybenzene
CID 19988191
2-fluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]ethyl]benzonitrile
CID 19988187
1-butoxy-2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988273
1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene
CID 19988202
4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene
CID 139803732
1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene
CID 19987921
4-[2-[4-[2-(4-heptylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]benzonitrile
CID 19988290
1-butoxy-4-[2-(4-octylcyclohexen-1-yl)ethyl]benzene
CID 19988246

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene?
The IUPAC name of 1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene (CID 18647721) is 1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene.
What is the SMILES notation for 1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene?
The canonical SMILES for 1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene is CCCCCCC1CCC(C2CC=C(CCc3ccc(CC)cc3)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene?
The InChIKey is UPJFAYJUOLKTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44/c1-3-5-6-7-8-24-15-19-27(20-16-24)28-21-17-26(18-22-28)14-13-25-11-9-23(4-2)10-12-25/h9-12,17,24,27-28H,3-8,13-16,18-22H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene?
1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene has a molecular weight of 380.66 g/mol, XLogP of 8.68, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene is sourced from PubChem (CID 18647721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).