[(Z)-1-hydroxytetradec-1-en-7-yl] acetate

C16H30O3 — CID 175011944

IUPAC[(Z)-1-hydroxytetradec-1-en-7-yl] acetate
SMILESCCCCCCCC(CCCC/C=C\O)OC(C)=O
InChIInChI=1S/C16H30O3/c1-3-4-5-6-9-12-16(19-15(2)18)13-10-7-8-11-14-17/h11,14,16-17H,3-10,12-13H2,1-2H3/b14-11-
InChIKeySDTAOWLWVLXSRF-KAMYIIQDSA-N
MW270.41 g/mol
LogP4.91
Rot. Bonds12

About [(Z)-1-hydroxytetradec-1-en-7-yl] acetate

[(Z)-1-hydroxytetradec-1-en-7-yl] acetate (PubChem CID 175011944) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is [(Z)-1-hydroxytetradec-1-en-7-yl] acetate.

Molecular Properties

Compound Name[(Z)-1-hydroxytetradec-1-en-7-yl] acetate
PubChem CID175011944
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name[(Z)-1-hydroxytetradec-1-en-7-yl] acetate
SMILESCCCCCCCC(CCCC/C=C\O)OC(C)=O
InChIInChI=1S/C16H30O3/c1-3-4-5-6-9-12-16(19-15(2)18)13-10-7-8-11-14-17/h11,14,16-17H,3-10,12-13H2,1-2H3/b14-11-
InChIKeySDTAOWLWVLXSRF-KAMYIIQDSA-N
XLogP4.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.91
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'}

Analyze [(Z)-1-hydroxytetradec-1-en-7-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-pentacos-11-en-8-yl] acetate
CID 126648537
icos-13-en-10-yl acetate
CID 175361590
tetradec-10-en-5-yl acetate
CID 54019946
heptadeca-14,16-dien-7-yl acetate
CID 145415265
18-oxononadec-11-en-7-yl acetate
CID 76539164
octadeca-15,17-dien-6-yl acetate
CID 54472757
18-hydroxyoctadec-9-en-7-yl acetate
CID 154089470
[(Z)-18-hydroxyoctadec-9-en-7-yl] acetate
CID 102090399
16-hydroxyhexadecan-8-yl acetate
CID 175427631
[(11Z)-tetradeca-11,13-dien-7-yl] acetate
CID 176893926
[(13E,15E)-18-oxononadeca-13,15-dien-5-yl] acetate
CID 57435746
[(11E,13E)-18-oxononadeca-11,13-dien-7-yl] acetate
CID 57435742

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-hydroxytetradec-1-en-7-yl] acetate?
The IUPAC name of [(Z)-1-hydroxytetradec-1-en-7-yl] acetate (CID 175011944) is [(Z)-1-hydroxytetradec-1-en-7-yl] acetate.
What is the SMILES notation for [(Z)-1-hydroxytetradec-1-en-7-yl] acetate?
The canonical SMILES for [(Z)-1-hydroxytetradec-1-en-7-yl] acetate is CCCCCCCC(CCCC/C=C\O)OC(C)=O.
What is the InChIKey of [(Z)-1-hydroxytetradec-1-en-7-yl] acetate?
The InChIKey is SDTAOWLWVLXSRF-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H30O3/c1-3-4-5-6-9-12-16(19-15(2)18)13-10-7-8-11-14-17/h11,14,16-17H,3-10,12-13H2,1-2H3/b14-11-.
What are the key properties of [(Z)-1-hydroxytetradec-1-en-7-yl] acetate?
[(Z)-1-hydroxytetradec-1-en-7-yl] acetate has a molecular weight of 270.41 g/mol, XLogP of 4.91, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-hydroxytetradec-1-en-7-yl] acetate is sourced from PubChem (CID 175011944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).