2-(2-hydroxy-1,2-dimethylcyclopentyl)pentan-3-one

C12H22O2 — CID 130729731

IUPAC2-(2-hydroxy-1,2-dimethylcyclopentyl)pentan-3-one
SMILESCCC(=O)C(C)C1(C)CCCC1(C)O
InChIInChI=1S/C12H22O2/c1-5-10(13)9(2)11(3)7-6-8-12(11,4)14/h9,14H,5-8H2,1-4H3
InChIKeyDAEIIJTZEAFSEV-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.54
Rot. Bonds3

About 2-(2-hydroxy-1,2-dimethylcyclopentyl)pentan-3-one

2-(2-hydroxy-1,2-dimethylcyclopentyl)pentan-3-one (PubChem CID 130729731) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(2-hydroxy-1,2-dimethylcyclopentyl)pentan-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-1,2-dimethylcyclopentyl)pentan-3-one
PubChem CID130729731
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(2-hydroxy-1,2-dimethylcyclopentyl)pentan-3-one
SMILESCCC(=O)C(C)C1(C)CCCC1(C)O
InChIInChI=1S/C12H22O2/c1-5-10(13)9(2)11(3)7-6-8-12(11,4)14/h9,14H,5-8H2,1-4H3
InChIKeyDAEIIJTZEAFSEV-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1,2-dimethylcyclopentyl)pentan-3-one?
The IUPAC name of 2-(2-hydroxy-1,2-dimethylcyclopentyl)pentan-3-one (CID 130729731) is 2-(2-hydroxy-1,2-dimethylcyclopentyl)pentan-3-one.
What is the SMILES notation for 2-(2-hydroxy-1,2-dimethylcyclopentyl)pentan-3-one?
The canonical SMILES for 2-(2-hydroxy-1,2-dimethylcyclopentyl)pentan-3-one is CCC(=O)C(C)C1(C)CCCC1(C)O.
What is the InChIKey of 2-(2-hydroxy-1,2-dimethylcyclopentyl)pentan-3-one?
The InChIKey is DAEIIJTZEAFSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-5-10(13)9(2)11(3)7-6-8-12(11,4)14/h9,14H,5-8H2,1-4H3.
What are the key properties of 2-(2-hydroxy-1,2-dimethylcyclopentyl)pentan-3-one?
2-(2-hydroxy-1,2-dimethylcyclopentyl)pentan-3-one has a molecular weight of 198.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1,2-dimethylcyclopentyl)pentan-3-one is sourced from PubChem (CID 130729731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).