2-(2-hydroxyacetyl)-2-methylcyclopentan-1-one

C8H12O3 — CID 12034555

IUPAC2-(2-hydroxyacetyl)-2-methylcyclopentan-1-one
SMILESCC1(C(=O)CO)CCCC1=O
InChIInChI=1S/C8H12O3/c1-8(7(11)5-9)4-2-3-6(8)10/h9H,2-5H2,1H3
InChIKeyDGPSSBQVVJWSKA-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.31
Rot. Bonds2

About 2-(2-hydroxyacetyl)-2-methylcyclopentan-1-one

2-(2-hydroxyacetyl)-2-methylcyclopentan-1-one (PubChem CID 12034555) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-(2-hydroxyacetyl)-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name2-(2-hydroxyacetyl)-2-methylcyclopentan-1-one
PubChem CID12034555
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-(2-hydroxyacetyl)-2-methylcyclopentan-1-one
SMILESCC1(C(=O)CO)CCCC1=O
InChIInChI=1S/C8H12O3/c1-8(7(11)5-9)4-2-3-6(8)10/h9H,2-5H2,1H3
InChIKeyDGPSSBQVVJWSKA-UHFFFAOYSA-N
XLogP0.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-methyl-2-oxocyclopentane-1-carboxylate;iodomethane
CID 91535747
ethyl (1S)-1-methyl-2-oxocyclohexane-1-carboxylate
CID 67188808
1-methyl-2-oxocycloheptane-1-carboxylic acid
CID 19704452
ethyl 1-methyl-2-oxocycloheptane-1-carboxylate
CID 14667932
ethyl 1-methyl-2-oxocyclododecane-1-carboxylate
CID 101250461
(2R)-2-hydroxy-2-methylcyclopentan-1-one
CID 13397596
benzyl 1-methyl-2-oxocyclohexane-1-carboxylate
CID 67285279
2-(hydroxymethyl)-2-methylcycloheptan-1-one
CID 11240623
2,3,3-trihydroxy-2-methylcyclohexan-1-one
CID 67931536
2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol
CID 90417728
2,2-dimethylcyclohexan-1-one;propanoic acid
CID 70117547
1-ethyl-2-oxocyclopentane-1-carboxylate
CID 23218203

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyacetyl)-2-methylcyclopentan-1-one?
The IUPAC name of 2-(2-hydroxyacetyl)-2-methylcyclopentan-1-one (CID 12034555) is 2-(2-hydroxyacetyl)-2-methylcyclopentan-1-one.
What is the SMILES notation for 2-(2-hydroxyacetyl)-2-methylcyclopentan-1-one?
The canonical SMILES for 2-(2-hydroxyacetyl)-2-methylcyclopentan-1-one is CC1(C(=O)CO)CCCC1=O.
What is the InChIKey of 2-(2-hydroxyacetyl)-2-methylcyclopentan-1-one?
The InChIKey is DGPSSBQVVJWSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-8(7(11)5-9)4-2-3-6(8)10/h9H,2-5H2,1H3.
What are the key properties of 2-(2-hydroxyacetyl)-2-methylcyclopentan-1-one?
2-(2-hydroxyacetyl)-2-methylcyclopentan-1-one has a molecular weight of 156.18 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyacetyl)-2-methylcyclopentan-1-one is sourced from PubChem (CID 12034555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).