[(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate

C16H26O2 — CID 150495020

IUPAC[(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate
SMILESCCC=CC/C=C\CCC/C=C\CCOC(C)=O
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5,7-8,12-13H,3,6,9-11,14-15H2,1-2H3/b5-4?,8-7-,13-12-
InChIKeyHWPJPNQEVWTZSJ-SGQCOZRFSA-N
MW250.38 g/mol
LogP4.58
Rot. Bonds10

About [(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate

[(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate (PubChem CID 150495020) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is [(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate.

Molecular Properties

Compound Name[(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate
PubChem CID150495020
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name[(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate
SMILESCCC=CC/C=C\CCC/C=C\CCOC(C)=O
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5,7-8,12-13H,3,6,9-11,14-15H2,1-2H3/b5-4?,8-7-,13-12-
InChIKeyHWPJPNQEVWTZSJ-SGQCOZRFSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.58
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

[(8Z,11Z)-tetradeca-8,11-dienyl] acetate
CID 86752265
acetic acid;[(Z)-hex-3-enyl] acetate
CID 87304527
[(Z)-tridec-10-enyl] acetate
CID 13086957
[(8Z)-tetradeca-3,8-dienyl] acetate
CID 175829151
[(3Z,13E)-octadeca-3,13-dienyl] acetate;[(Z)-tetradec-11-enyl] acetate
CID 162095329
[(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] 2-fluoroprop-2-enoate
CID 171776215
[(5E,8Z,11E,14E)-icosa-5,8,11,14-tetraenyl] acetate
CID 124937607
[(3Z,14Z)-octadeca-3,14-dienyl] acetate
CID 5363264
[(9Z,12E)-octadeca-9,12-dienyl] acetate
CID 124514536
[(3E,6Z)-nona-3,6-dienyl] (Z)-2-methylbut-2-enoate
CID 91692546
[(Z)-hept-3-enyl] acetate;nona-2,6-dien-1-ol
CID 134303237
[(4E,9E)-tetradeca-4,9-dienyl] acetate
CID 87225023

Frequently Asked Questions

What is the IUPAC name of [(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate?
The IUPAC name of [(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate (CID 150495020) is [(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate.
What is the SMILES notation for [(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate?
The canonical SMILES for [(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate is CCC=CC/C=C\CCC/C=C\CCOC(C)=O.
What is the InChIKey of [(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate?
The InChIKey is HWPJPNQEVWTZSJ-SGQCOZRFSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5,7-8,12-13H,3,6,9-11,14-15H2,1-2H3/b5-4?,8-7-,13-12-.
What are the key properties of [(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate?
[(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate has a molecular weight of 250.38 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate is sourced from PubChem (CID 150495020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).