(3E)-6,10-dimethylundeca-3,9-dien-2-one

C13H22O — CID 6438023

IUPAC(3E)-6,10-dimethylundeca-3,9-dien-2-one
SMILESCC(=O)/C=C/CC(C)CCC=C(C)C
InChIInChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,10,12H,5,8-9H2,1-4H3/b10-6+
InChIKeySLMWIBBJFMTGLJ-UXBLZVDNSA-N
MW194.32 g/mol
LogP3.90
Rot. Bonds6

About (3E)-6,10-dimethylundeca-3,9-dien-2-one

(3E)-6,10-dimethylundeca-3,9-dien-2-one (PubChem CID 6438023) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (3E)-6,10-dimethylundeca-3,9-dien-2-one.

Molecular Properties

Compound Name(3E)-6,10-dimethylundeca-3,9-dien-2-one
PubChem CID6438023
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(3E)-6,10-dimethylundeca-3,9-dien-2-one
SMILESCC(=O)/C=C/CC(C)CCC=C(C)C
InChIInChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,10,12H,5,8-9H2,1-4H3/b10-6+
InChIKeySLMWIBBJFMTGLJ-UXBLZVDNSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-6,10-dimethylundeca-3,9-dien-2-one?
The IUPAC name of (3E)-6,10-dimethylundeca-3,9-dien-2-one (CID 6438023) is (3E)-6,10-dimethylundeca-3,9-dien-2-one.
What is the SMILES notation for (3E)-6,10-dimethylundeca-3,9-dien-2-one?
The canonical SMILES for (3E)-6,10-dimethylundeca-3,9-dien-2-one is CC(=O)/C=C/CC(C)CCC=C(C)C.
What is the InChIKey of (3E)-6,10-dimethylundeca-3,9-dien-2-one?
The InChIKey is SLMWIBBJFMTGLJ-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,10,12H,5,8-9H2,1-4H3/b10-6+.
What are the key properties of (3E)-6,10-dimethylundeca-3,9-dien-2-one?
(3E)-6,10-dimethylundeca-3,9-dien-2-one has a molecular weight of 194.32 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6,10-dimethylundeca-3,9-dien-2-one is sourced from PubChem (CID 6438023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).