[(1E,8Z)-tetradeca-1,8-dienyl] acetate

C16H28O2 — CID 11708627

IUPAC[(1E,8Z)-tetradeca-1,8-dienyl] acetate
SMILESCCCCC/C=C\CCCCC/C=C/OC(C)=O
InChIInChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h7-8,14-15H,3-6,9-13H2,1-2H3/b8-7-,15-14+
InChIKeyJMUUMMJTTLYDPW-QSAGCDLMSA-N
MW252.40 g/mol
LogP5.15
Rot. Bonds11

About [(1E,8Z)-tetradeca-1,8-dienyl] acetate

[(1E,8Z)-tetradeca-1,8-dienyl] acetate (PubChem CID 11708627) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is [(1E,8Z)-tetradeca-1,8-dienyl] acetate.

Molecular Properties

Compound Name[(1E,8Z)-tetradeca-1,8-dienyl] acetate
PubChem CID11708627
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name[(1E,8Z)-tetradeca-1,8-dienyl] acetate
SMILESCCCCC/C=C\CCCCC/C=C/OC(C)=O
InChIInChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h7-8,14-15H,3-6,9-13H2,1-2H3/b8-7-,15-14+
InChIKeyJMUUMMJTTLYDPW-QSAGCDLMSA-N
XLogP5.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1Z,9Z)-hexadeca-1,9-dienyl] acetate
CID 175213059
[(E)-hexadec-1-enyl] acetate
CID 5376351
[(1E,4E)-dodeca-1,4-dienyl] acetate
CID 171363895
trideca-1,4,7-trienyl acetate
CID 151112026
[(9Z)-dodeca-1,9-dienyl] acetate
CID 88595728
[(1Z)-hexadeca-1,3-dienyl] acetate
CID 154504226
[(1E,3E)-heptadeca-1,3-dienyl] acetate
CID 135332225
nona-1,6-dienyl acetate
CID 91219371
tetracos-1-enyl (Z)-octadec-9-enoate
CID 174158582
dec-1-enyl propanoate
CID 54106013
octadec-1-enyl icos-2-enoate
CID 53437848
octadec-1-enyl tetradecanoate
CID 71417711

Frequently Asked Questions

What is the IUPAC name of [(1E,8Z)-tetradeca-1,8-dienyl] acetate?
The IUPAC name of [(1E,8Z)-tetradeca-1,8-dienyl] acetate (CID 11708627) is [(1E,8Z)-tetradeca-1,8-dienyl] acetate.
What is the SMILES notation for [(1E,8Z)-tetradeca-1,8-dienyl] acetate?
The canonical SMILES for [(1E,8Z)-tetradeca-1,8-dienyl] acetate is CCCCC/C=C\CCCCC/C=C/OC(C)=O.
What is the InChIKey of [(1E,8Z)-tetradeca-1,8-dienyl] acetate?
The InChIKey is JMUUMMJTTLYDPW-QSAGCDLMSA-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/h7-8,14-15H,3-6,9-13H2,1-2H3/b8-7-,15-14+.
What are the key properties of [(1E,8Z)-tetradeca-1,8-dienyl] acetate?
[(1E,8Z)-tetradeca-1,8-dienyl] acetate has a molecular weight of 252.40 g/mol, XLogP of 5.15, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,8Z)-tetradeca-1,8-dienyl] acetate is sourced from PubChem (CID 11708627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).