1-hydroxybutan-2-one

C4H8O2 — CID 521300

IUPAC1-hydroxybutan-2-one
SMILESCCC(=O)CO
InChIInChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3
InChIKeyGFAZHVHNLUBROE-UHFFFAOYSA-N
MW88.11 g/mol
LogP-0.04
Rot. Bonds2

About 1-hydroxybutan-2-one

1-hydroxybutan-2-one (PubChem CID 521300) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is 1-hydroxybutan-2-one.

Molecular Properties

Compound Name1-hydroxybutan-2-one
PubChem CID521300
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Name1-hydroxybutan-2-one
SMILESCCC(=O)CO
InChIInChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3
InChIKeyGFAZHVHNLUBROE-UHFFFAOYSA-N
XLogP-0.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxybutan-2-one?
The IUPAC name of 1-hydroxybutan-2-one (CID 521300) is 1-hydroxybutan-2-one.
What is the SMILES notation for 1-hydroxybutan-2-one?
The canonical SMILES for 1-hydroxybutan-2-one is CCC(=O)CO.
What is the InChIKey of 1-hydroxybutan-2-one?
The InChIKey is GFAZHVHNLUBROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3.
What are the key properties of 1-hydroxybutan-2-one?
1-hydroxybutan-2-one has a molecular weight of 88.11 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxybutan-2-one is sourced from PubChem (CID 521300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).