4,4,7,7-tetramethylcyclononan-1-one

C13H24O — CID 21241719

IUPAC4,4,7,7-tetramethylcyclononan-1-one
SMILESCC1(C)CCC(=O)CCC(C)(C)CC1
InChIInChI=1S/C13H24O/c1-12(2)7-5-11(14)6-8-13(3,4)10-9-12/h5-10H2,1-4H3
InChIKeyRPXHAPILQYPJFK-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.96
Rot. Bonds

About 4,4,7,7-tetramethylcyclononan-1-one

4,4,7,7-tetramethylcyclononan-1-one (PubChem CID 21241719) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 4,4,7,7-tetramethylcyclononan-1-one.

Molecular Properties

Compound Name4,4,7,7-tetramethylcyclononan-1-one
PubChem CID21241719
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name4,4,7,7-tetramethylcyclononan-1-one
SMILESCC1(C)CCC(=O)CCC(C)(C)CC1
InChIInChI=1S/C13H24O/c1-12(2)7-5-11(14)6-8-13(3,4)10-9-12/h5-10H2,1-4H3
InChIKeyRPXHAPILQYPJFK-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,4,7,7-tetramethylcyclononan-1-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

4,4-dimethylcyclononan-1-one
CID 123139927
methane;4-methylcyclohexan-1-one;1,1,4-trimethylcyclohexane
CID 160725349
cyclopropanone;ethane
CID 90860291
acetic acid;5,5-dimethylazocane-2,8-dione
CID 175986885
1-methoxy-2,2,8,8-tetramethylazocan-5-one
CID 122680753
spiro[3.5]nonane-2,7-dione
CID 130028978
4-fluoro-4-propan-2-ylcyclohexan-1-one
CID 155319933
3,3-dimethylcycloheptan-1-one
CID 12702041
N,1-dimethyl-N-(4-oxocyclohexyl)cyclopropane-1-carboxamide
CID 130553196
azane;7,7-dimethyl-1-azaspiro[3.5]nonan-2-one;4,4-dimethylcyclohexan-1-one;1,1-dimethyl-4-methylidenecyclohexane;methyl 2-(1-chloro-4,4-dimethylcyclohexyl)acetate
CID 160725151
1-azaspiro[2.5]octan-6-one
CID 141436270
4-methyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-one
CID 101328362

Frequently Asked Questions

What is the IUPAC name of 4,4,7,7-tetramethylcyclononan-1-one?
The IUPAC name of 4,4,7,7-tetramethylcyclononan-1-one (CID 21241719) is 4,4,7,7-tetramethylcyclononan-1-one.
What is the SMILES notation for 4,4,7,7-tetramethylcyclononan-1-one?
The canonical SMILES for 4,4,7,7-tetramethylcyclononan-1-one is CC1(C)CCC(=O)CCC(C)(C)CC1.
What is the InChIKey of 4,4,7,7-tetramethylcyclononan-1-one?
The InChIKey is RPXHAPILQYPJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-12(2)7-5-11(14)6-8-13(3,4)10-9-12/h5-10H2,1-4H3.
What are the key properties of 4,4,7,7-tetramethylcyclononan-1-one?
4,4,7,7-tetramethylcyclononan-1-one has a molecular weight of 196.33 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7,7-tetramethylcyclononan-1-one is sourced from PubChem (CID 21241719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).