1-(2,2-dimethylcyclopentyl)ethanone

C9H16O — CID 537088

IUPAC1-(2,2-dimethylcyclopentyl)ethanone
SMILESCC(=O)C1CCCC1(C)C
InChIInChI=1S/C9H16O/c1-7(10)8-5-4-6-9(8,2)3/h8H,4-6H2,1-3H3
InChIKeyCOQNBWSAGJABEB-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.40
Rot. Bonds1

About 1-(2,2-dimethylcyclopentyl)ethanone

1-(2,2-dimethylcyclopentyl)ethanone (PubChem CID 537088) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)ethanone
PubChem CID537088
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-(2,2-dimethylcyclopentyl)ethanone
SMILESCC(=O)C1CCCC1(C)C
InChIInChI=1S/C9H16O/c1-7(10)8-5-4-6-9(8,2)3/h8H,4-6H2,1-3H3
InChIKeyCOQNBWSAGJABEB-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)ethanone?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)ethanone (CID 537088) is 1-(2,2-dimethylcyclopentyl)ethanone.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)ethanone?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)ethanone is CC(=O)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)ethanone?
The InChIKey is COQNBWSAGJABEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7(10)8-5-4-6-9(8,2)3/h8H,4-6H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)ethanone?
1-(2,2-dimethylcyclopentyl)ethanone has a molecular weight of 140.23 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)ethanone is sourced from PubChem (CID 537088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).