[(2E,10E)-trideca-2,10-dienyl] acetate

C15H26O2 — CID 89409048

IUPAC[(2E,10E)-trideca-2,10-dienyl] acetate
SMILESCC/C=C/CCCCCC/C=C/COC(C)=O
InChIInChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h4-5,12-13H,3,6-11,14H2,1-2H3/b5-4+,13-12+
InChIKeyMXRMOMNDWPCTCI-XIIOSWEISA-N
MW238.37 g/mol
LogP4.41
Rot. Bonds10

About [(2E,10E)-trideca-2,10-dienyl] acetate

[(2E,10E)-trideca-2,10-dienyl] acetate (PubChem CID 89409048) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(2E,10E)-trideca-2,10-dienyl] acetate.

Molecular Properties

Compound Name[(2E,10E)-trideca-2,10-dienyl] acetate
PubChem CID89409048
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(2E,10E)-trideca-2,10-dienyl] acetate
SMILESCC/C=C/CCCCCC/C=C/COC(C)=O
InChIInChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h4-5,12-13H,3,6-11,14H2,1-2H3/b5-4+,13-12+
InChIKeyMXRMOMNDWPCTCI-XIIOSWEISA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.41
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,8Z)-tetradeca-2,8-dienyl] acetate
CID 177398223
[(Z)-tridec-10-enyl] acetate
CID 13086957
[(E)-13-hydroxytridec-2-enyl] acetate
CID 11715833
[(2E,10E)-7,7-dimethyltrideca-2,10-dienyl] acetate
CID 135274081
[(8Z,11Z)-tetradeca-8,11-dienyl] acetate
CID 86752265
7-oxooct-2-enyl acetate
CID 71362074
[(3Z,13E)-octadeca-3,13-dienyl] acetate;[(Z)-tetradec-11-enyl] acetate
CID 162095329
[(9Z)-dodeca-1,9-dienyl] acetate
CID 88595728
16-acetyloxyhexadeca-4,12-dienyl acetate
CID 54570942
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
[(4E,12E)-16-acetyloxyhexadeca-4,12-dienyl] acetate
CID 23331437
20-acetyloxyicos-11-enyl acetate
CID 537116

Frequently Asked Questions

What is the IUPAC name of [(2E,10E)-trideca-2,10-dienyl] acetate?
The IUPAC name of [(2E,10E)-trideca-2,10-dienyl] acetate (CID 89409048) is [(2E,10E)-trideca-2,10-dienyl] acetate.
What is the SMILES notation for [(2E,10E)-trideca-2,10-dienyl] acetate?
The canonical SMILES for [(2E,10E)-trideca-2,10-dienyl] acetate is CC/C=C/CCCCCC/C=C/COC(C)=O.
What is the InChIKey of [(2E,10E)-trideca-2,10-dienyl] acetate?
The InChIKey is MXRMOMNDWPCTCI-XIIOSWEISA-N. The full InChI is InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h4-5,12-13H,3,6-11,14H2,1-2H3/b5-4+,13-12+.
What are the key properties of [(2E,10E)-trideca-2,10-dienyl] acetate?
[(2E,10E)-trideca-2,10-dienyl] acetate has a molecular weight of 238.37 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,10E)-trideca-2,10-dienyl] acetate is sourced from PubChem (CID 89409048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).