6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one

C8H12O2 — CID 573500

IUPAC6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one
SMILESCC12CCC(=O)C1C2CO
InChIInChI=1S/C8H12O2/c1-8-3-2-6(10)7(8)5(8)4-9/h5,7,9H,2-4H2,1H3
InChIKeySOGDMXGDKRLFOF-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.59
Rot. Bonds1

About 6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one

6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one (PubChem CID 573500) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one
PubChem CID573500
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one
SMILESCC12CCC(=O)C1C2CO
InChIInChI=1S/C8H12O2/c1-8-3-2-6(10)7(8)5(8)4-9/h5,7,9H,2-4H2,1H3
InChIKeySOGDMXGDKRLFOF-UHFFFAOYSA-N
XLogP0.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4aR,4bS,7R,8R,8aR,10aR)-8-(hydroxymethyl)-4a,7,8a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-1-one
CID 10684025
3a,4-dimethyl-2,3,4,5,6,6a-hexahydropentalen-1-one
CID 130038182
2-acetyl-4,4-dimethylcyclohexane-1,3-dione
CID 22648327
7-(hydroxymethyl)-1-methylbicyclo[2.2.1]hept-5-en-2-one
CID 130037609
(3'aR,7'S,7'aS)-7'-(2-azidoethyl)-3'a-ethyl-5,5-dimethylspiro[1,3-dioxane-2,6'-2,3,4,5,7,7a-hexahydroindene]-1'-one
CID 101063444
(4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-one
CID 14433373
2-(hydroxymethyl)cyclohexane-1,3-dione
CID 130028608
2-hydroxy-3-(2-hydroxyethoxy)-3-methylcyclopentan-1-one
CID 155392917
[3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
CID 14320848
(1R,6S)-5,5-dimethylbicyclo[4.2.0]octane-2,7-dione
CID 131856739
(1-methyl-6-bicyclo[3.1.0]hexanyl)methanol
CID 67940107
sodium 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 23686973

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one?
The IUPAC name of 6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one (CID 573500) is 6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one is CC12CCC(=O)C1C2CO.
What is the InChIKey of 6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one?
The InChIKey is SOGDMXGDKRLFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-8-3-2-6(10)7(8)5(8)4-9/h5,7,9H,2-4H2,1H3.
What are the key properties of 6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one?
6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one has a molecular weight of 140.18 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 573500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).