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

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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).