3-ethyl-2,2-dimethylcyclopentan-1-one

C9H16O — CID 89158762

IUPAC3-ethyl-2,2-dimethylcyclopentan-1-one
SMILESCCC1CCC(=O)C1(C)C
InChIInChI=1S/C9H16O/c1-4-7-5-6-8(10)9(7,2)3/h7H,4-6H2,1-3H3
InChIKeyQQGVOMDWLNXPQZ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.40
Rot. Bonds1

About 3-ethyl-2,2-dimethylcyclopentan-1-one

3-ethyl-2,2-dimethylcyclopentan-1-one (PubChem CID 89158762) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-ethyl-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name3-ethyl-2,2-dimethylcyclopentan-1-one
PubChem CID89158762
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-ethyl-2,2-dimethylcyclopentan-1-one
SMILESCCC1CCC(=O)C1(C)C
InChIInChI=1S/C9H16O/c1-4-7-5-6-8(10)9(7,2)3/h7H,4-6H2,1-3H3
InChIKeyQQGVOMDWLNXPQZ-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 3-ethyl-2,2-dimethylcyclopentan-1-one?
The IUPAC name of 3-ethyl-2,2-dimethylcyclopentan-1-one (CID 89158762) is 3-ethyl-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for 3-ethyl-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for 3-ethyl-2,2-dimethylcyclopentan-1-one is CCC1CCC(=O)C1(C)C.
What is the InChIKey of 3-ethyl-2,2-dimethylcyclopentan-1-one?
The InChIKey is QQGVOMDWLNXPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-7-5-6-8(10)9(7,2)3/h7H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-2,2-dimethylcyclopentan-1-one?
3-ethyl-2,2-dimethylcyclopentan-1-one 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 3-ethyl-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 89158762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).