6,6,9-trimethyldec-8-en-5-one

C13H24O — CID 59350132

IUPAC6,6,9-trimethyldec-8-en-5-one
SMILESCCCCC(=O)C(C)(C)CC=C(C)C
InChIInChI=1S/C13H24O/c1-6-7-8-12(14)13(4,5)10-9-11(2)3/h9H,6-8,10H2,1-5H3
InChIKeyCKLRYSAMNOBIGK-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.13
Rot. Bonds6

About 6,6,9-trimethyldec-8-en-5-one

6,6,9-trimethyldec-8-en-5-one (PubChem CID 59350132) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 6,6,9-trimethyldec-8-en-5-one.

Molecular Properties

Compound Name6,6,9-trimethyldec-8-en-5-one
PubChem CID59350132
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name6,6,9-trimethyldec-8-en-5-one
SMILESCCCCC(=O)C(C)(C)CC=C(C)C
InChIInChI=1S/C13H24O/c1-6-7-8-12(14)13(4,5)10-9-11(2)3/h9H,6-8,10H2,1-5H3
InChIKeyCKLRYSAMNOBIGK-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6,6,9-trimethyldec-8-en-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7R)-6,6,7,11-tetramethyldodec-10-en-5-one
CID 87515653
(3R)-3-ethyl-3,6-dimethylhept-5-en-2-one
CID 118389184
methyl 2,2,5-trimethylhex-4-enoate
CID 550269
5,5-dimethyltridecan-6-one
CID 19931387
6,6-dimethyldec-9-yn-5-one
CID 86247441
1,1,1-tribromohexan-2-one
CID 154116668
3-ethoxy-3-methyloctan-4-one
CID 116747000
2-methyl-2-(methylamino)heptan-3-one
CID 116566324
2-methyloct-2-en-4-one
CID 29838
3-amino-3-methylnonan-4-one
CID 116590428
2-butyl-3,7-dimethylocta-2,6-dienoic acid
CID 90775093
2,5,5-trimethylundecane-3,6-dione
CID 87629470

Frequently Asked Questions

What is the IUPAC name of 6,6,9-trimethyldec-8-en-5-one?
The IUPAC name of 6,6,9-trimethyldec-8-en-5-one (CID 59350132) is 6,6,9-trimethyldec-8-en-5-one.
What is the SMILES notation for 6,6,9-trimethyldec-8-en-5-one?
The canonical SMILES for 6,6,9-trimethyldec-8-en-5-one is CCCCC(=O)C(C)(C)CC=C(C)C.
What is the InChIKey of 6,6,9-trimethyldec-8-en-5-one?
The InChIKey is CKLRYSAMNOBIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-6-7-8-12(14)13(4,5)10-9-11(2)3/h9H,6-8,10H2,1-5H3.
What are the key properties of 6,6,9-trimethyldec-8-en-5-one?
6,6,9-trimethyldec-8-en-5-one has a molecular weight of 196.33 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,9-trimethyldec-8-en-5-one is sourced from PubChem (CID 59350132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).