2,2-dimethyldec-6-en-5-one

C12H22O — CID 141426644

IUPAC2,2-dimethyldec-6-en-5-one
SMILESCCCC=CC(=O)CCC(C)(C)C
InChIInChI=1S/C12H22O/c1-5-6-7-8-11(13)9-10-12(2,3)4/h7-8H,5-6,9-10H2,1-4H3
InChIKeyUOGLTELPLHRTES-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.74
Rot. Bonds5

About 2,2-dimethyldec-6-en-5-one

2,2-dimethyldec-6-en-5-one (PubChem CID 141426644) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,2-dimethyldec-6-en-5-one.

Molecular Properties

Compound Name2,2-dimethyldec-6-en-5-one
PubChem CID141426644
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2,2-dimethyldec-6-en-5-one
SMILESCCCC=CC(=O)CCC(C)(C)C
InChIInChI=1S/C12H22O/c1-5-6-7-8-11(13)9-10-12(2,3)4/h7-8H,5-6,9-10H2,1-4H3
InChIKeyUOGLTELPLHRTES-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dimethyldec-6-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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyldec-6-en-5-one?
The IUPAC name of 2,2-dimethyldec-6-en-5-one (CID 141426644) is 2,2-dimethyldec-6-en-5-one.
What is the SMILES notation for 2,2-dimethyldec-6-en-5-one?
The canonical SMILES for 2,2-dimethyldec-6-en-5-one is CCCC=CC(=O)CCC(C)(C)C.
What is the InChIKey of 2,2-dimethyldec-6-en-5-one?
The InChIKey is UOGLTELPLHRTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-6-7-8-11(13)9-10-12(2,3)4/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of 2,2-dimethyldec-6-en-5-one?
2,2-dimethyldec-6-en-5-one has a molecular weight of 182.31 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyldec-6-en-5-one is sourced from PubChem (CID 141426644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).