6,10-dimethylundeca-5,9-dien-2-one

C13H22O — CID 19633

IUPAC6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(=O)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3
InChIKeyHNZUNIKWNYHEJJ-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.05
Rot. Bonds6

About 6,10-dimethylundeca-5,9-dien-2-one

6,10-dimethylundeca-5,9-dien-2-one (PubChem CID 19633) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 6,10-dimethylundeca-5,9-dien-2-one.

Molecular Properties

Compound Name6,10-dimethylundeca-5,9-dien-2-one
PubChem CID19633
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(=O)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3
InChIKeyHNZUNIKWNYHEJJ-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-5-hepten-2-one
CID 9862
Geranylacetone
CID 1549778
Teprenone
CID 5282199
Germacrone
CID 6436348
(Z)-5-Octen-2-one
CID 5352779
Farnesyl acetone
CID 1711945
Nerylacetone
CID 1713001
Farnesyl acetone, (5Z,9Z)-
CID 1711942
4,8-Dimethyl-3,7-nonadien-2-one
CID 6536892
5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-
CID 61206
5-Nonen-2-one
CID 117910
5,6-Dimethyl-5-hepten-2-one
CID 69641

Frequently Asked Questions

What is the IUPAC name of 6,10-dimethylundeca-5,9-dien-2-one?
The IUPAC name of 6,10-dimethylundeca-5,9-dien-2-one (CID 19633) is 6,10-dimethylundeca-5,9-dien-2-one.
What is the SMILES notation for 6,10-dimethylundeca-5,9-dien-2-one?
The canonical SMILES for 6,10-dimethylundeca-5,9-dien-2-one is CC(=O)CCC=C(C)CCC=C(C)C.
What is the InChIKey of 6,10-dimethylundeca-5,9-dien-2-one?
The InChIKey is HNZUNIKWNYHEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3.
What are the key properties of 6,10-dimethylundeca-5,9-dien-2-one?
6,10-dimethylundeca-5,9-dien-2-one has a molecular weight of 194.32 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethylundeca-5,9-dien-2-one is sourced from PubChem (CID 19633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).