[(8Z,11Z)-tetradeca-8,11-dienyl] acetate

C16H28O2 — CID 86752265

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

About [(8Z,11Z)-tetradeca-8,11-dienyl] acetate

[(8Z,11Z)-tetradeca-8,11-dienyl] acetate (PubChem CID 86752265) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is [(8Z,11Z)-tetradeca-8,11-dienyl] acetate.

Molecular Properties

Compound Name[(8Z,11Z)-tetradeca-8,11-dienyl] acetate
PubChem CID86752265
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name[(8Z,11Z)-tetradeca-8,11-dienyl] acetate
SMILESCC/C=C\C/C=C\CCCCCCCOC(C)=O
InChIInChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5,7-8H,3,6,9-15H2,1-2H3/b5-4-,8-7-
InChIKeyXKEVRWXRQDXQEE-UTOQUPLUSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-tridec-10-enyl] acetate
CID 13086957
[(9Z,12E)-octadeca-9,12-dienyl] acetate
CID 124514536
[(5E,8Z,11E,14E)-icosa-5,8,11,14-tetraenyl] acetate
CID 124937607
bis(docosa-7,10,13,16,19-pentaenyl) carbonate
CID 173337934
[(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate
CID 150495020
20-acetyloxyicos-11-enyl acetate
CID 537116
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
[(3Z,13E)-octadeca-3,13-dienyl] acetate;[(Z)-tetradec-11-enyl] acetate
CID 162095329
[(9Z,11E)-tetradeca-9,11-dienyl] acetate
CID 6441057
hexadec-8-enyl acetate
CID 538136
[(Z)-tridec-8-enyl] acetate
CID 10014538
[(Z)-octadec-13-enyl] acetate
CID 5363293

Frequently Asked Questions

What is the IUPAC name of [(8Z,11Z)-tetradeca-8,11-dienyl] acetate?
The IUPAC name of [(8Z,11Z)-tetradeca-8,11-dienyl] acetate (CID 86752265) is [(8Z,11Z)-tetradeca-8,11-dienyl] acetate.
What is the SMILES notation for [(8Z,11Z)-tetradeca-8,11-dienyl] acetate?
The canonical SMILES for [(8Z,11Z)-tetradeca-8,11-dienyl] acetate is CC/C=C\C/C=C\CCCCCCCOC(C)=O.
What is the InChIKey of [(8Z,11Z)-tetradeca-8,11-dienyl] acetate?
The InChIKey is XKEVRWXRQDXQEE-UTOQUPLUSA-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/h4-5,7-8H,3,6,9-15H2,1-2H3/b5-4-,8-7-.
What are the key properties of [(8Z,11Z)-tetradeca-8,11-dienyl] acetate?
[(8Z,11Z)-tetradeca-8,11-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 [(8Z,11Z)-tetradeca-8,11-dienyl] acetate is sourced from PubChem (CID 86752265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).