[(9Z,11E)-tetradeca-9,11-dienyl] acetate

C16H28O2 — CID 6441057

IUPAC[(9Z,11E)-tetradeca-9,11-dienyl] acetate
SMILESCC/C=C/C=C\CCCCCCCCOC(C)=O
InChIInChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3/b5-4+,7-6-
InChIKeyRFEQLTBBKNKGGJ-DEQVHDEQSA-N
MW252.40 g/mol
LogP4.80
Rot. Bonds11

About [(9Z,11E)-tetradeca-9,11-dienyl] acetate

[(9Z,11E)-tetradeca-9,11-dienyl] acetate (PubChem CID 6441057) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is [(9Z,11E)-tetradeca-9,11-dienyl] acetate.

Molecular Properties

Compound Name[(9Z,11E)-tetradeca-9,11-dienyl] acetate
PubChem CID6441057
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name[(9Z,11E)-tetradeca-9,11-dienyl] acetate
SMILESCC/C=C/C=C\CCCCCCCCOC(C)=O
InChIInChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3/b5-4+,7-6-
InChIKeyRFEQLTBBKNKGGJ-DEQVHDEQSA-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

acetic acid;[(11E,13Z)-hexadeca-11,13-dienyl] acetate
CID 162316436
heptadeca-9,11-dienyl acetate
CID 168861599
[(Z)-tridec-10-enyl] acetate
CID 13086957
[(4Z,6Z)-hexadeca-4,6-dienyl] acetate
CID 91751116
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
20-acetyloxyicos-11-enyl acetate
CID 537116
[(8Z,11Z)-tetradeca-8,11-dienyl] acetate
CID 86752265
[(5Z,7E)-dodeca-5,7-dienyl] acetate;(9E,11Z)-hexadeca-9,11-dienal
CID 158183525
[(9Z,11Z)-tetradeca-9,11-dienyl] (11Z,13Z)-hexadeca-11,13-dienoate
CID 175816594
8-acetyloxyocta-5,7-dienyl acetate
CID 173275738
hexadec-8-enyl acetate
CID 538136
[(Z)-tridec-8-enyl] acetate
CID 10014538

Frequently Asked Questions

What is the IUPAC name of [(9Z,11E)-tetradeca-9,11-dienyl] acetate?
The IUPAC name of [(9Z,11E)-tetradeca-9,11-dienyl] acetate (CID 6441057) is [(9Z,11E)-tetradeca-9,11-dienyl] acetate.
What is the SMILES notation for [(9Z,11E)-tetradeca-9,11-dienyl] acetate?
The canonical SMILES for [(9Z,11E)-tetradeca-9,11-dienyl] acetate is CC/C=C/C=C\CCCCCCCCOC(C)=O.
What is the InChIKey of [(9Z,11E)-tetradeca-9,11-dienyl] acetate?
The InChIKey is RFEQLTBBKNKGGJ-DEQVHDEQSA-N. The full InChI is InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3/b5-4+,7-6-.
What are the key properties of [(9Z,11E)-tetradeca-9,11-dienyl] acetate?
[(9Z,11E)-tetradeca-9,11-dienyl] 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 [(9Z,11E)-tetradeca-9,11-dienyl] acetate is sourced from PubChem (CID 6441057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).