[(E)-13-hydroxytridec-2-enyl] acetate

C15H28O3 — CID 11715833

IUPAC[(E)-13-hydroxytridec-2-enyl] acetate
SMILESCC(=O)OC/C=C/CCCCCCCCCCO
InChIInChI=1S/C15H28O3/c1-15(17)18-14-12-10-8-6-4-2-3-5-7-9-11-13-16/h10,12,16H,2-9,11,13-14H2,1H3/b12-10+
InChIKeyGCRBNIXPMBWOMB-ZRDIBKRKSA-N
MW256.39 g/mol
LogP3.61
Rot. Bonds12

About [(E)-13-hydroxytridec-2-enyl] acetate

[(E)-13-hydroxytridec-2-enyl] acetate (PubChem CID 11715833) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is [(E)-13-hydroxytridec-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-13-hydroxytridec-2-enyl] acetate
PubChem CID11715833
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name[(E)-13-hydroxytridec-2-enyl] acetate
SMILESCC(=O)OC/C=C/CCCCCCCCCCO
InChIInChI=1S/C15H28O3/c1-15(17)18-14-12-10-8-6-4-2-3-5-7-9-11-13-16/h10,12,16H,2-9,11,13-14H2,1H3/b12-10+
InChIKeyGCRBNIXPMBWOMB-ZRDIBKRKSA-N
XLogP3.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(2E,10E)-trideca-2,10-dienyl] acetate
CID 89409048
[(2E,8Z)-tetradeca-2,8-dienyl] acetate
CID 177398223
7-oxooct-2-enyl acetate
CID 71362074
16-acetyloxyhexadeca-4,12-dienyl acetate
CID 54570942
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
[(4E,12E)-16-acetyloxyhexadeca-4,12-dienyl] acetate
CID 23331437
20-acetyloxyicos-11-enyl acetate
CID 537116
4-hydroxybut-2-enyl acetate
CID 54073989
hexadec-8-ene-1,16-diol
CID 54395986
acetic acid;hexadec-10-en-1-ol
CID 71444791
acetic acid;(Z)-tetradec-8-en-1-ol
CID 175504388
6-acetyloxyhex-4-enoic acid
CID 54335921

Frequently Asked Questions

What is the IUPAC name of [(E)-13-hydroxytridec-2-enyl] acetate?
The IUPAC name of [(E)-13-hydroxytridec-2-enyl] acetate (CID 11715833) is [(E)-13-hydroxytridec-2-enyl] acetate.
What is the SMILES notation for [(E)-13-hydroxytridec-2-enyl] acetate?
The canonical SMILES for [(E)-13-hydroxytridec-2-enyl] acetate is CC(=O)OC/C=C/CCCCCCCCCCO.
What is the InChIKey of [(E)-13-hydroxytridec-2-enyl] acetate?
The InChIKey is GCRBNIXPMBWOMB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H28O3/c1-15(17)18-14-12-10-8-6-4-2-3-5-7-9-11-13-16/h10,12,16H,2-9,11,13-14H2,1H3/b12-10+.
What are the key properties of [(E)-13-hydroxytridec-2-enyl] acetate?
[(E)-13-hydroxytridec-2-enyl] acetate has a molecular weight of 256.39 g/mol, XLogP of 3.61, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-13-hydroxytridec-2-enyl] acetate is sourced from PubChem (CID 11715833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).