1-[3-(hydroxymethyl)cyclobutyl]ethanone

C7H12O2 — CID 158201402

IUPAC1-[3-(hydroxymethyl)cyclobutyl]ethanone
SMILESCC(=O)C1CC(CO)C1
InChIInChI=1S/C7H12O2/c1-5(9)7-2-6(3-7)4-8/h6-8H,2-4H2,1H3
InChIKeySOMUTKZMZXIRHH-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.59
Rot. Bonds2

About 1-[3-(hydroxymethyl)cyclobutyl]ethanone

1-[3-(hydroxymethyl)cyclobutyl]ethanone (PubChem CID 158201402) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)cyclobutyl]ethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)cyclobutyl]ethanone
PubChem CID158201402
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name1-[3-(hydroxymethyl)cyclobutyl]ethanone
SMILESCC(=O)C1CC(CO)C1
InChIInChI=1S/C7H12O2/c1-5(9)7-2-6(3-7)4-8/h6-8H,2-4H2,1H3
InChIKeySOMUTKZMZXIRHH-UHFFFAOYSA-N
XLogP0.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-bis(hydroxymethyl)cyclohexyl]methanol;1-(3,5-diacetylcyclohexyl)ethanone;oxolane
CID 161247219
ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane
CID 144882385
1-[(1S,3R)-3-propylcycloheptyl]ethanone
CID 165024764
1-[3-(2-methylpropyl)cyclohexyl]ethanone
CID 107430523
1-[(3S,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]ethanone
CID 167202980
trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate
CID 10330914
1-cyclopentylethanone;propane
CID 145026358
1-[(1S,3S)-3-aminocyclohexyl]ethanone
CID 98010319
3-(hydroxymethyl)cyclohexane-1-carboperoxoic acid
CID 87185667
N-[3-(hydroxymethyl)cyclobutyl]but-2-ynamide
CID 164662207
cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
CID 10607292
1-[(1R,3S)-3-aminocyclopentyl]ethanone
CID 59688992

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)cyclobutyl]ethanone?
The IUPAC name of 1-[3-(hydroxymethyl)cyclobutyl]ethanone (CID 158201402) is 1-[3-(hydroxymethyl)cyclobutyl]ethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)cyclobutyl]ethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)cyclobutyl]ethanone is CC(=O)C1CC(CO)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)cyclobutyl]ethanone?
The InChIKey is SOMUTKZMZXIRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-5(9)7-2-6(3-7)4-8/h6-8H,2-4H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)cyclobutyl]ethanone?
1-[3-(hydroxymethyl)cyclobutyl]ethanone has a molecular weight of 128.17 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)cyclobutyl]ethanone is sourced from PubChem (CID 158201402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).