[(5E)-6,10-dimethyl-2-oxoundeca-5,9-dien-4-yl] acetate

C15H24O3 — CID 19733955

IUPAC[(5E)-6,10-dimethyl-2-oxoundeca-5,9-dien-4-yl] acetate
SMILESCC(=O)CC(/C=C(\C)CCC=C(C)C)OC(C)=O
InChIInChI=1S/C15H24O3/c1-11(2)7-6-8-12(3)9-15(10-13(4)16)18-14(5)17/h7,9,15H,6,8,10H2,1-5H3/b12-9+
InChIKeyBZKAQMKEQXUCSW-FMIVXFBMSA-N
MW252.35 g/mol
LogP3.59
Rot. Bonds7

About [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dien-4-yl] acetate

[(5E)-6,10-dimethyl-2-oxoundeca-5,9-dien-4-yl] acetate (PubChem CID 19733955) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dien-4-yl] acetate.

Molecular Properties

Compound Name[(5E)-6,10-dimethyl-2-oxoundeca-5,9-dien-4-yl] acetate
PubChem CID19733955
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name[(5E)-6,10-dimethyl-2-oxoundeca-5,9-dien-4-yl] acetate
SMILESCC(=O)CC(/C=C(\C)CCC=C(C)C)OC(C)=O
InChIInChI=1S/C15H24O3/c1-11(2)7-6-8-12(3)9-15(10-13(4)16)18-14(5)17/h7,9,15H,6,8,10H2,1-5H3/b12-9+
InChIKeyBZKAQMKEQXUCSW-FMIVXFBMSA-N
XLogP3.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dien-4-yl] acetate?
The IUPAC name of [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dien-4-yl] acetate (CID 19733955) is [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dien-4-yl] acetate.
What is the SMILES notation for [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dien-4-yl] acetate?
The canonical SMILES for [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dien-4-yl] acetate is CC(=O)CC(/C=C(\C)CCC=C(C)C)OC(C)=O.
What is the InChIKey of [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dien-4-yl] acetate?
The InChIKey is BZKAQMKEQXUCSW-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H24O3/c1-11(2)7-6-8-12(3)9-15(10-13(4)16)18-14(5)17/h7,9,15H,6,8,10H2,1-5H3/b12-9+.
What are the key properties of [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dien-4-yl] acetate?
[(5E)-6,10-dimethyl-2-oxoundeca-5,9-dien-4-yl] acetate has a molecular weight of 252.35 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E)-6,10-dimethyl-2-oxoundeca-5,9-dien-4-yl] acetate is sourced from PubChem (CID 19733955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).