4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one

C13H24O — CID 65402131

IUPAC4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one
SMILESCC1CCC(C(=O)CCC(C)(C)C)C1
InChIInChI=1S/C13H24O/c1-10-5-6-11(9-10)12(14)7-8-13(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyKHTVJHWRUXSDFM-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.82
Rot. Bonds3

About 4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one

4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one (PubChem CID 65402131) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one
PubChem CID65402131
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one
SMILESCC1CCC(C(=O)CCC(C)(C)C)C1
InChIInChI=1S/C13H24O/c1-10-5-6-11(9-10)12(14)7-8-13(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyKHTVJHWRUXSDFM-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,4-dimethyl-1-(3-methylcyclopentyl)pentan-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-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-one
CID 103035343
1-cycloheptyl-4,4-dimethylpentan-1-one
CID 65399769
4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one
CID 103035308
1-(3-methylcyclopentyl)pent-4-en-1-one
CID 65403175
5,5-dimethyl-1-(3-methylcyclopentyl)hexan-2-one
CID 167537268
4-methoxy-1-(3-methylcyclopentyl)butan-1-one
CID 114853943
1-(4,4-difluorocyclohexyl)-4,4-dimethylpentan-1-one
CID 105093364
4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one
CID 65330284
4-(3-methylcyclopentyl)-2,4-dioxobutanoic acid
CID 178087853
1-(3,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-one
CID 79953893
1-cyclopentyl-5,5-dimethylhexan-1-one
CID 59118963
ethane;3-methylcyclopentane-1-carboxamide;propane-2,2-diol
CID 171107207

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one?
The IUPAC name of 4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one (CID 65402131) is 4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one.
What is the SMILES notation for 4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one?
The canonical SMILES for 4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one is CC1CCC(C(=O)CCC(C)(C)C)C1.
What is the InChIKey of 4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one?
The InChIKey is KHTVJHWRUXSDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-10-5-6-11(9-10)12(14)7-8-13(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one?
4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one has a molecular weight of 196.33 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one is sourced from PubChem (CID 65402131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).