2-(4-pent-4-enylcyclohexyl)ethylbenzene

C19H28 — CID 56624486

IUPAC2-(4-pent-4-enylcyclohexyl)ethylbenzene
SMILESC=CCCCC1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C19H28/c1-2-3-5-8-18-12-15-19(16-13-18)14-11-17-9-6-4-7-10-17/h2,4,6-7,9-10,18-19H,1,3,5,8,11-16H2
InChIKeyBCSSXCXJSYBTAE-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.78
Rot. Bonds7

About 2-(4-pent-4-enylcyclohexyl)ethylbenzene

2-(4-pent-4-enylcyclohexyl)ethylbenzene (PubChem CID 56624486) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-(4-pent-4-enylcyclohexyl)ethylbenzene.

Molecular Properties

Compound Name2-(4-pent-4-enylcyclohexyl)ethylbenzene
PubChem CID56624486
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name2-(4-pent-4-enylcyclohexyl)ethylbenzene
SMILESC=CCCCC1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C19H28/c1-2-3-5-8-18-12-15-19(16-13-18)14-11-17-9-6-4-7-10-17/h2,4,6-7,9-10,18-19H,1,3,5,8,11-16H2
InChIKeyBCSSXCXJSYBTAE-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.78
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

Biphenyl
CID 7095
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
P-Xylene
CID 7809
P-Cymene
CID 7463
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161
Pentylbenzene
CID 10864
Propylbenzene
CID 7668
M-Terphenyl
CID 7076

Frequently Asked Questions

What is the IUPAC name of 2-(4-pent-4-enylcyclohexyl)ethylbenzene?
The IUPAC name of 2-(4-pent-4-enylcyclohexyl)ethylbenzene (CID 56624486) is 2-(4-pent-4-enylcyclohexyl)ethylbenzene.
What is the SMILES notation for 2-(4-pent-4-enylcyclohexyl)ethylbenzene?
The canonical SMILES for 2-(4-pent-4-enylcyclohexyl)ethylbenzene is C=CCCCC1CCC(CCc2ccccc2)CC1.
What is the InChIKey of 2-(4-pent-4-enylcyclohexyl)ethylbenzene?
The InChIKey is BCSSXCXJSYBTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-2-3-5-8-18-12-15-19(16-13-18)14-11-17-9-6-4-7-10-17/h2,4,6-7,9-10,18-19H,1,3,5,8,11-16H2.
What are the key properties of 2-(4-pent-4-enylcyclohexyl)ethylbenzene?
2-(4-pent-4-enylcyclohexyl)ethylbenzene has a molecular weight of 256.43 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pent-4-enylcyclohexyl)ethylbenzene is sourced from PubChem (CID 56624486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).