[(4E,7Z,10Z)-trideca-4,7,10-trienyl] acetate

C15H24O2 — CID 12811203

IUPAC[(4E,7Z,10Z)-trideca-4,7,10-trienyl] acetate
SMILESCC/C=C\C/C=C\C/C=C/CCCOC(C)=O
InChIInChI=1S/C15H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h4-5,7-8,10-11H,3,6,9,12-14H2,1-2H3/b5-4-,8-7-,11-10+
InChIKeyWSXRBDKQLAZFRN-OZENSHFISA-N
MW236.35 g/mol
LogP4.19
Rot. Bonds9

About [(4E,7Z,10Z)-trideca-4,7,10-trienyl] acetate

[(4E,7Z,10Z)-trideca-4,7,10-trienyl] acetate (PubChem CID 12811203) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is [(4E,7Z,10Z)-trideca-4,7,10-trienyl] acetate.

Molecular Properties

Compound Name[(4E,7Z,10Z)-trideca-4,7,10-trienyl] acetate
PubChem CID12811203
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name[(4E,7Z,10Z)-trideca-4,7,10-trienyl] acetate
SMILESCC/C=C\C/C=C\C/C=C/CCCOC(C)=O
InChIInChI=1S/C15H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h4-5,7-8,10-11H,3,6,9,12-14H2,1-2H3/b5-4-,8-7-,11-10+
InChIKeyWSXRBDKQLAZFRN-OZENSHFISA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.19
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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Frequently Asked Questions

What is the IUPAC name of [(4E,7Z,10Z)-trideca-4,7,10-trienyl] acetate?
The IUPAC name of [(4E,7Z,10Z)-trideca-4,7,10-trienyl] acetate (CID 12811203) is [(4E,7Z,10Z)-trideca-4,7,10-trienyl] acetate.
What is the SMILES notation for [(4E,7Z,10Z)-trideca-4,7,10-trienyl] acetate?
The canonical SMILES for [(4E,7Z,10Z)-trideca-4,7,10-trienyl] acetate is CC/C=C\C/C=C\C/C=C/CCCOC(C)=O.
What is the InChIKey of [(4E,7Z,10Z)-trideca-4,7,10-trienyl] acetate?
The InChIKey is WSXRBDKQLAZFRN-OZENSHFISA-N. The full InChI is InChI=1S/C15H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h4-5,7-8,10-11H,3,6,9,12-14H2,1-2H3/b5-4-,8-7-,11-10+.
What are the key properties of [(4E,7Z,10Z)-trideca-4,7,10-trienyl] acetate?
[(4E,7Z,10Z)-trideca-4,7,10-trienyl] acetate has a molecular weight of 236.35 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E,7Z,10Z)-trideca-4,7,10-trienyl] acetate is sourced from PubChem (CID 12811203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).