[(11Z)-tetradeca-11,13-dien-7-yl] acetate

C16H28O2 — CID 176893926

IUPAC[(11Z)-tetradeca-11,13-dien-7-yl] acetate
SMILESC=C/C=C\CCCC(CCCCCC)OC(C)=O
InChIInChI=1S/C16H28O2/c1-4-6-8-10-12-14-16(18-15(3)17)13-11-9-7-5-2/h4,6,8,16H,1,5,7,9-14H2,2-3H3/b8-6-
InChIKeyCIXTYSSZRQCUEQ-VURMDHGXSA-N
MW252.40 g/mol
LogP4.80
Rot. Bonds11

About [(11Z)-tetradeca-11,13-dien-7-yl] acetate

[(11Z)-tetradeca-11,13-dien-7-yl] acetate (PubChem CID 176893926) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is [(11Z)-tetradeca-11,13-dien-7-yl] acetate.

Molecular Properties

Compound Name[(11Z)-tetradeca-11,13-dien-7-yl] acetate
PubChem CID176893926
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name[(11Z)-tetradeca-11,13-dien-7-yl] acetate
SMILESC=C/C=C\CCCC(CCCCCC)OC(C)=O
InChIInChI=1S/C16H28O2/c1-4-6-8-10-12-14-16(18-15(3)17)13-11-9-7-5-2/h4,6,8,16H,1,5,7,9-14H2,2-3H3/b8-6-
InChIKeyCIXTYSSZRQCUEQ-VURMDHGXSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptadeca-14,16-dien-7-yl acetate
CID 145415265
octadeca-15,17-dien-6-yl acetate
CID 54472757
[(11E,13E)-18-oxononadeca-11,13-dien-7-yl] acetate
CID 57435742
icos-13-en-10-yl acetate
CID 175361590
[(E)-pentacos-11-en-8-yl] acetate
CID 126648537
[(Z)-1-hydroxytetradec-1-en-7-yl] acetate
CID 175011944
18-oxononadec-11-en-7-yl acetate
CID 76539164
[(13E,15E)-18-oxononadeca-13,15-dien-5-yl] acetate
CID 57435746
tetradec-10-en-5-yl acetate
CID 54019946
acetic acid;(13E)-hexadeca-13,15-dien-6-ol
CID 175333798
(13Z,16Z)-9-acetyloxytetracosa-13,16-dienoic acid
CID 138304511
18-oxononadeca-9,11-dien-7-yl acetate
CID 76539171

Frequently Asked Questions

What is the IUPAC name of [(11Z)-tetradeca-11,13-dien-7-yl] acetate?
The IUPAC name of [(11Z)-tetradeca-11,13-dien-7-yl] acetate (CID 176893926) is [(11Z)-tetradeca-11,13-dien-7-yl] acetate.
What is the SMILES notation for [(11Z)-tetradeca-11,13-dien-7-yl] acetate?
The canonical SMILES for [(11Z)-tetradeca-11,13-dien-7-yl] acetate is C=C/C=C\CCCC(CCCCCC)OC(C)=O.
What is the InChIKey of [(11Z)-tetradeca-11,13-dien-7-yl] acetate?
The InChIKey is CIXTYSSZRQCUEQ-VURMDHGXSA-N. The full InChI is InChI=1S/C16H28O2/c1-4-6-8-10-12-14-16(18-15(3)17)13-11-9-7-5-2/h4,6,8,16H,1,5,7,9-14H2,2-3H3/b8-6-.
What are the key properties of [(11Z)-tetradeca-11,13-dien-7-yl] acetate?
[(11Z)-tetradeca-11,13-dien-7-yl] acetate has a molecular weight of 252.40 g/mol, XLogP of 4.80, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(11Z)-tetradeca-11,13-dien-7-yl] acetate is sourced from PubChem (CID 176893926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).