[(4E,9E)-tetradeca-4,9-dienyl] acetate

C16H28O2 — CID 87225023

IUPAC[(4E,9E)-tetradeca-4,9-dienyl] acetate
SMILESCCCC/C=C/CCC/C=C/CCCOC(C)=O
InChIInChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h6-7,11-12H,3-5,8-10,13-15H2,1-2H3/b7-6+,12-11+
InChIKeyFYDXSFXOPXYAPT-PHFMIZANSA-N
MW252.40 g/mol
LogP4.80
Rot. Bonds11

About [(4E,9E)-tetradeca-4,9-dienyl] acetate

[(4E,9E)-tetradeca-4,9-dienyl] acetate (PubChem CID 87225023) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is [(4E,9E)-tetradeca-4,9-dienyl] acetate.

Molecular Properties

Compound Name[(4E,9E)-tetradeca-4,9-dienyl] acetate
PubChem CID87225023
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name[(4E,9E)-tetradeca-4,9-dienyl] acetate
SMILESCCCC/C=C/CCC/C=C/CCCOC(C)=O
InChIInChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h6-7,11-12H,3-5,8-10,13-15H2,1-2H3/b7-6+,12-11+
InChIKeyFYDXSFXOPXYAPT-PHFMIZANSA-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)-dec-5-enyl] acetate
CID 5363513
[(Z)-octadec-13-enyl] acetate
CID 5363293
[(Z)-tridec-8-enyl] acetate
CID 10014538
hexadec-8-enyl acetate
CID 538136
octadec-8-enyl acetate
CID 538134
[(8Z)-tetradeca-3,8-dienyl] acetate
CID 175829151
[(Z)-icos-11-enyl] acetate
CID 11493805
[(Z)-pentadec-7-enyl] acetate
CID 102286743
[(4E,12E)-16-acetyloxyhexadeca-4,12-dienyl] acetate
CID 23331437
16-acetyloxyhexadeca-4,12-dienyl acetate
CID 54570942
[(4Z,6Z)-hexadeca-4,6-dienyl] acetate
CID 91751116
[(5E,8Z,11E,14E)-icosa-5,8,11,14-tetraenyl] acetate
CID 124937607

Frequently Asked Questions

What is the IUPAC name of [(4E,9E)-tetradeca-4,9-dienyl] acetate?
The IUPAC name of [(4E,9E)-tetradeca-4,9-dienyl] acetate (CID 87225023) is [(4E,9E)-tetradeca-4,9-dienyl] acetate.
What is the SMILES notation for [(4E,9E)-tetradeca-4,9-dienyl] acetate?
The canonical SMILES for [(4E,9E)-tetradeca-4,9-dienyl] acetate is CCCC/C=C/CCC/C=C/CCCOC(C)=O.
What is the InChIKey of [(4E,9E)-tetradeca-4,9-dienyl] acetate?
The InChIKey is FYDXSFXOPXYAPT-PHFMIZANSA-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/h6-7,11-12H,3-5,8-10,13-15H2,1-2H3/b7-6+,12-11+.
What are the key properties of [(4E,9E)-tetradeca-4,9-dienyl] acetate?
[(4E,9E)-tetradeca-4,9-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 [(4E,9E)-tetradeca-4,9-dienyl] acetate is sourced from PubChem (CID 87225023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).