[(2E,10E)-7,7-dimethyltrideca-2,10-dienyl] acetate

C17H30O2 — CID 135274081

IUPAC[(2E,10E)-7,7-dimethyltrideca-2,10-dienyl] acetate
SMILESCC/C=C/CCC(C)(C)CCC/C=C/COC(C)=O
InChIInChI=1S/C17H30O2/c1-5-6-7-10-13-17(3,4)14-11-8-9-12-15-19-16(2)18/h6-7,9,12H,5,8,10-11,13-15H2,1-4H3/b7-6+,12-9+
InChIKeyNHPLNLLSAPRQSC-ZICOIJLXSA-N
MW266.42 g/mol
LogP5.05
Rot. Bonds10

About [(2E,10E)-7,7-dimethyltrideca-2,10-dienyl] acetate

[(2E,10E)-7,7-dimethyltrideca-2,10-dienyl] acetate (PubChem CID 135274081) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is [(2E,10E)-7,7-dimethyltrideca-2,10-dienyl] acetate.

Molecular Properties

Compound Name[(2E,10E)-7,7-dimethyltrideca-2,10-dienyl] acetate
PubChem CID135274081
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name[(2E,10E)-7,7-dimethyltrideca-2,10-dienyl] acetate
SMILESCC/C=C/CCC(C)(C)CCC/C=C/COC(C)=O
InChIInChI=1S/C17H30O2/c1-5-6-7-10-13-17(3,4)14-11-8-9-12-15-19-16(2)18/h6-7,9,12H,5,8,10-11,13-15H2,1-4H3/b7-6+,12-9+
InChIKeyNHPLNLLSAPRQSC-ZICOIJLXSA-N
XLogP5.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.05
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
[(2E,8Z)-tetradeca-2,8-dienyl] acetate
CID 177398223
7-oxooct-2-enyl acetate
CID 71362074
[(Z)-tridec-10-enyl] acetate
CID 13086957
[(E)-13-hydroxytridec-2-enyl] acetate
CID 11715833
[(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate
CID 150495020
3-methylnon-6-en-3-yl acetate
CID 131887994
2,2-dimethyloct-5-enamide
CID 174985624
[(8Z,11Z)-tetradeca-8,11-dienyl] acetate
CID 86752265
4,4-dimethylhexyl acetate
CID 90020632
[(E)-4-acetyloxybut-2-enyl] 2-bromo-2-methylpropanoate
CID 44514812
bis(nona-2,6-dienyl) butanedioate
CID 172814579

Frequently Asked Questions

What is the IUPAC name of [(2E,10E)-7,7-dimethyltrideca-2,10-dienyl] acetate?
The IUPAC name of [(2E,10E)-7,7-dimethyltrideca-2,10-dienyl] acetate (CID 135274081) is [(2E,10E)-7,7-dimethyltrideca-2,10-dienyl] acetate.
What is the SMILES notation for [(2E,10E)-7,7-dimethyltrideca-2,10-dienyl] acetate?
The canonical SMILES for [(2E,10E)-7,7-dimethyltrideca-2,10-dienyl] acetate is CC/C=C/CCC(C)(C)CCC/C=C/COC(C)=O.
What is the InChIKey of [(2E,10E)-7,7-dimethyltrideca-2,10-dienyl] acetate?
The InChIKey is NHPLNLLSAPRQSC-ZICOIJLXSA-N. The full InChI is InChI=1S/C17H30O2/c1-5-6-7-10-13-17(3,4)14-11-8-9-12-15-19-16(2)18/h6-7,9,12H,5,8,10-11,13-15H2,1-4H3/b7-6+,12-9+.
What are the key properties of [(2E,10E)-7,7-dimethyltrideca-2,10-dienyl] acetate?
[(2E,10E)-7,7-dimethyltrideca-2,10-dienyl] acetate has a molecular weight of 266.42 g/mol, XLogP of 5.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,10E)-7,7-dimethyltrideca-2,10-dienyl] acetate is sourced from PubChem (CID 135274081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).