1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene

C21H32 — CID 54014860

IUPAC1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene
SMILESCCCCCCCc1ccc(C2=CCC(CC)CC2)cc1
InChIInChI=1S/C21H32/c1-3-5-6-7-8-9-19-12-16-21(17-13-19)20-14-10-18(4-2)11-15-20/h12-14,16-18H,3-11,15H2,1-2H3
InChIKeyKUXNVVKCEMBDPK-UHFFFAOYSA-N
MW284.49 g/mol
LogP6.79
Rot. Bonds8

About 1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene

1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene (PubChem CID 54014860) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene.

Molecular Properties

Compound Name1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene
PubChem CID54014860
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene
SMILESCCCCCCCc1ccc(C2=CCC(CC)CC2)cc1
InChIInChI=1S/C21H32/c1-3-5-6-7-8-9-19-12-16-21(17-13-19)20-14-10-18(4-2)11-15-20/h12-14,16-18H,3-11,15H2,1-2H3
InChIKeyKUXNVVKCEMBDPK-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butylcyclohexen-1-yl)-4-hexylbenzene
CID 54268995
1-(4-hexylcyclohexen-1-yl)-4-propylbenzene
CID 54541289
3-chloro-1-(4-ethylcyclohexen-1-yl)-2-fluoro-4-(4-pentylphenyl)benzene
CID 59257383
1-(4-ethylcyclohexen-1-yl)-4-heptoxybenzene
CID 57220196
1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384
1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene
CID 20500432
2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene
CID 20500630
1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538280
1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene
CID 20538383
4-(4-heptylcyclohexen-1-yl)benzenethiol
CID 173376322
1-(4-ethylcyclohexen-1-yl)-4-[4-(4-methylcyclohexen-1-yl)phenyl]benzene
CID 20538245

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene?
The IUPAC name of 1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene (CID 54014860) is 1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene.
What is the SMILES notation for 1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene?
The canonical SMILES for 1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene is CCCCCCCc1ccc(C2=CCC(CC)CC2)cc1.
What is the InChIKey of 1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene?
The InChIKey is KUXNVVKCEMBDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32/c1-3-5-6-7-8-9-19-12-16-21(17-13-19)20-14-10-18(4-2)11-15-20/h12-14,16-18H,3-11,15H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene?
1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene has a molecular weight of 284.49 g/mol, XLogP of 6.79, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene is sourced from PubChem (CID 54014860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).