[(E)-tridec-1-enyl] 4-hydroxybenzoate

C20H30O3 — CID 101322280

IUPAC[(E)-tridec-1-enyl] 4-hydroxybenzoate
SMILESCCCCCCCCCCC/C=C/OC(=O)c1ccc(O)cc1
InChIInChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-23-20(22)18-13-15-19(21)16-14-18/h12-17,21H,2-11H2,1H3/b17-12+
InChIKeyWQUYKCNOIPQDLN-SFQUDFHCSA-N
MW318.46 g/mol
LogP5.98
Rot. Bonds12

About [(E)-tridec-1-enyl] 4-hydroxybenzoate

[(E)-tridec-1-enyl] 4-hydroxybenzoate (PubChem CID 101322280) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is [(E)-tridec-1-enyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[(E)-tridec-1-enyl] 4-hydroxybenzoate
PubChem CID101322280
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name[(E)-tridec-1-enyl] 4-hydroxybenzoate
SMILESCCCCCCCCCCC/C=C/OC(=O)c1ccc(O)cc1
InChIInChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-23-20(22)18-13-15-19(21)16-14-18/h12-17,21H,2-11H2,1H3/b17-12+
InChIKeyWQUYKCNOIPQDLN-SFQUDFHCSA-N
XLogP5.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(E)-dec-1-enyl] 4-hydroxybenzoate
CID 101322252
[(E)-oct-1-enyl] 4-methylbenzoate
CID 101221123
[(E)-heptadec-2-enyl] 4-hydroxybenzoate
CID 101322335
[(E)-non-2-enyl] 4-hydroxybenzoate
CID 101322245
[(E)-heptadec-10-enyl] 4-hydroxybenzoate
CID 101322343
[(E)-dec-3-enyl] 4-hydroxybenzoate
CID 101322254
[(E)-octadec-6-enyl] 4-hydroxybenzoate
CID 101322355
[(E)-dec-4-enyl] 4-hydroxybenzoate
CID 101322255
2-heptadec-1-enoxycarbonylterephthalic acid
CID 54054252
(Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one
CID 14228728
4-pent-1-enoxycarbonylbenzoic acid
CID 139900322
undeca-1,9-dienyl 4-methoxybenzoate
CID 54553843

Frequently Asked Questions

What is the IUPAC name of [(E)-tridec-1-enyl] 4-hydroxybenzoate?
The IUPAC name of [(E)-tridec-1-enyl] 4-hydroxybenzoate (CID 101322280) is [(E)-tridec-1-enyl] 4-hydroxybenzoate.
What is the SMILES notation for [(E)-tridec-1-enyl] 4-hydroxybenzoate?
The canonical SMILES for [(E)-tridec-1-enyl] 4-hydroxybenzoate is CCCCCCCCCCC/C=C/OC(=O)c1ccc(O)cc1.
What is the InChIKey of [(E)-tridec-1-enyl] 4-hydroxybenzoate?
The InChIKey is WQUYKCNOIPQDLN-SFQUDFHCSA-N. The full InChI is InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-23-20(22)18-13-15-19(21)16-14-18/h12-17,21H,2-11H2,1H3/b17-12+.
What are the key properties of [(E)-tridec-1-enyl] 4-hydroxybenzoate?
[(E)-tridec-1-enyl] 4-hydroxybenzoate has a molecular weight of 318.46 g/mol, XLogP of 5.98, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-tridec-1-enyl] 4-hydroxybenzoate is sourced from PubChem (CID 101322280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).