8,12-dimethyltridec-11-ene-3,6-dione

C15H26O2 — CID 138968115

IUPAC8,12-dimethyltridec-11-ene-3,6-dione
SMILESCCC(=O)CCC(=O)CC(C)CCC=C(C)C
InChIInChI=1S/C15H26O2/c1-5-14(16)9-10-15(17)11-13(4)8-6-7-12(2)3/h7,13H,5-6,8-11H2,1-4H3
InChIKeyADIFKWOZRFFTMW-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.09
Rot. Bonds9

About 8,12-dimethyltridec-11-ene-3,6-dione

8,12-dimethyltridec-11-ene-3,6-dione (PubChem CID 138968115) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 8,12-dimethyltridec-11-ene-3,6-dione.

Molecular Properties

Compound Name8,12-dimethyltridec-11-ene-3,6-dione
PubChem CID138968115
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name8,12-dimethyltridec-11-ene-3,6-dione
SMILESCCC(=O)CCC(=O)CC(C)CCC=C(C)C
InChIInChI=1S/C15H26O2/c1-5-14(16)9-10-15(17)11-13(4)8-6-7-12(2)3/h7,13H,5-6,8-11H2,1-4H3
InChIKeyADIFKWOZRFFTMW-UHFFFAOYSA-N
XLogP4.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydro-pseudo-ionone
CID 102604
2-(3,7-Dimethyl-2,6-octadienyl)cyclopentanone
CID 6437428
Nerone
CID 35785
4-Acetyl-1-methylcyclohexene
CID 93019
Dihydro-alpha-ionone
CID 35821
2-(3-Methyl-2-butenyl)cyclopentanone
CID 102835
2-(2-(4-Methylcyclohex-3-en-1-yl)propyl)cyclopentan-1-one
CID 175661
Cyclopentanone, 2-(3,7-dimethyl-2,6-octadienyl)-
CID 109154
Cyclohexenylcyclohexanone
CID 101175
8-Decene-3,5-dione, 4,6,9-trimethyl-
CID 114572
Ethanone, 1-(3-cycloocten-1-yl)-
CID 56841839
Carvenone
CID 10363

Frequently Asked Questions

What is the IUPAC name of 8,12-dimethyltridec-11-ene-3,6-dione?
The IUPAC name of 8,12-dimethyltridec-11-ene-3,6-dione (CID 138968115) is 8,12-dimethyltridec-11-ene-3,6-dione.
What is the SMILES notation for 8,12-dimethyltridec-11-ene-3,6-dione?
The canonical SMILES for 8,12-dimethyltridec-11-ene-3,6-dione is CCC(=O)CCC(=O)CC(C)CCC=C(C)C.
What is the InChIKey of 8,12-dimethyltridec-11-ene-3,6-dione?
The InChIKey is ADIFKWOZRFFTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-5-14(16)9-10-15(17)11-13(4)8-6-7-12(2)3/h7,13H,5-6,8-11H2,1-4H3.
What are the key properties of 8,12-dimethyltridec-11-ene-3,6-dione?
8,12-dimethyltridec-11-ene-3,6-dione has a molecular weight of 238.37 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,12-dimethyltridec-11-ene-3,6-dione is sourced from PubChem (CID 138968115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).