4-(4-pent-1-enylcyclohexyl)benzoic acid

C18H24O2 — CID 54142034

IUPAC4-(4-pent-1-enylcyclohexyl)benzoic acid
SMILESCCCC=CC1CCC(c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C18H24O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h4-5,10-15H,2-3,6-9H2,1H3,(H,19,20)
InChIKeyOBTLSPVGQBZPHQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.01
Rot. Bonds5

About 4-(4-pent-1-enylcyclohexyl)benzoic acid

4-(4-pent-1-enylcyclohexyl)benzoic acid (PubChem CID 54142034) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(4-pent-1-enylcyclohexyl)benzoic acid.

Molecular Properties

Compound Name4-(4-pent-1-enylcyclohexyl)benzoic acid
PubChem CID54142034
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name4-(4-pent-1-enylcyclohexyl)benzoic acid
SMILESCCCC=CC1CCC(c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C18H24O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h4-5,10-15H,2-3,6-9H2,1H3,(H,19,20)
InChIKeyOBTLSPVGQBZPHQ-UHFFFAOYSA-N
XLogP5.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pent-1-enylcyclohexyl)benzoic acid?
The IUPAC name of 4-(4-pent-1-enylcyclohexyl)benzoic acid (CID 54142034) is 4-(4-pent-1-enylcyclohexyl)benzoic acid.
What is the SMILES notation for 4-(4-pent-1-enylcyclohexyl)benzoic acid?
The canonical SMILES for 4-(4-pent-1-enylcyclohexyl)benzoic acid is CCCC=CC1CCC(c2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-(4-pent-1-enylcyclohexyl)benzoic acid?
The InChIKey is OBTLSPVGQBZPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h4-5,10-15H,2-3,6-9H2,1H3,(H,19,20).
What are the key properties of 4-(4-pent-1-enylcyclohexyl)benzoic acid?
4-(4-pent-1-enylcyclohexyl)benzoic acid has a molecular weight of 272.39 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pent-1-enylcyclohexyl)benzoic acid is sourced from PubChem (CID 54142034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).