[(2E,8Z)-tetradeca-2,8-dienyl] acetate

C16H28O2 — CID 177398223

IUPAC[(2E,8Z)-tetradeca-2,8-dienyl] acetate
SMILESCCCCC/C=C\CCCC/C=C/COC(C)=O
InChIInChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h7-8,13-14H,3-6,9-12,15H2,1-2H3/b8-7-,14-13+
InChIKeyHELOLVNIGSETCZ-ISHIJUGMSA-N
MW252.40 g/mol
LogP4.80
Rot. Bonds11

About [(2E,8Z)-tetradeca-2,8-dienyl] acetate

[(2E,8Z)-tetradeca-2,8-dienyl] acetate (PubChem CID 177398223) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is [(2E,8Z)-tetradeca-2,8-dienyl] acetate.

Molecular Properties

Compound Name[(2E,8Z)-tetradeca-2,8-dienyl] acetate
PubChem CID177398223
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name[(2E,8Z)-tetradeca-2,8-dienyl] acetate
SMILESCCCCC/C=C\CCCC/C=C/COC(C)=O
InChIInChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h7-8,13-14H,3-6,9-12,15H2,1-2H3/b8-7-,14-13+
InChIKeyHELOLVNIGSETCZ-ISHIJUGMSA-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

[(2E,10E)-trideca-2,10-dienyl] acetate
CID 89409048
[(E)-oct-2-enyl] carbamate
CID 87240762
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
[(E)-13-hydroxytridec-2-enyl] acetate
CID 11715833
bis[(E)-undec-2-enyl] (E)-but-2-enedioate
CID 91701287
bis[(E)-pentadec-2-enyl] butanedioate
CID 87799324
7-oxooct-2-enyl acetate
CID 71362074
[(Z)-dec-5-enyl] acetate
CID 5363513

Frequently Asked Questions

What is the IUPAC name of [(2E,8Z)-tetradeca-2,8-dienyl] acetate?
The IUPAC name of [(2E,8Z)-tetradeca-2,8-dienyl] acetate (CID 177398223) is [(2E,8Z)-tetradeca-2,8-dienyl] acetate.
What is the SMILES notation for [(2E,8Z)-tetradeca-2,8-dienyl] acetate?
The canonical SMILES for [(2E,8Z)-tetradeca-2,8-dienyl] acetate is CCCCC/C=C\CCCC/C=C/COC(C)=O.
What is the InChIKey of [(2E,8Z)-tetradeca-2,8-dienyl] acetate?
The InChIKey is HELOLVNIGSETCZ-ISHIJUGMSA-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/h7-8,13-14H,3-6,9-12,15H2,1-2H3/b8-7-,14-13+.
What are the key properties of [(2E,8Z)-tetradeca-2,8-dienyl] acetate?
[(2E,8Z)-tetradeca-2,8-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 [(2E,8Z)-tetradeca-2,8-dienyl] acetate is sourced from PubChem (CID 177398223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).