3-(2,3-dihydroxypropoxy)butan-2-one

C7H14O4 — CID 123357821

IUPAC3-(2,3-dihydroxypropoxy)butan-2-one
SMILESCC(=O)C(C)OCC(O)CO
InChIInChI=1S/C7H14O4/c1-5(9)6(2)11-4-7(10)3-8/h6-8,10H,3-4H2,1-2H3
InChIKeyWWIDZGPNEWNPDA-UHFFFAOYSA-N
MW162.18 g/mol
LogP-0.67
Rot. Bonds5

About 3-(2,3-dihydroxypropoxy)butan-2-one

3-(2,3-dihydroxypropoxy)butan-2-one (PubChem CID 123357821) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropoxy)butan-2-one.

Molecular Properties

Compound Name3-(2,3-dihydroxypropoxy)butan-2-one
PubChem CID123357821
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name3-(2,3-dihydroxypropoxy)butan-2-one
SMILESCC(=O)C(C)OCC(O)CO
InChIInChI=1S/C7H14O4/c1-5(9)6(2)11-4-7(10)3-8/h6-8,10H,3-4H2,1-2H3
InChIKeyWWIDZGPNEWNPDA-UHFFFAOYSA-N
XLogP-0.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropoxy)butan-2-one?
The IUPAC name of 3-(2,3-dihydroxypropoxy)butan-2-one (CID 123357821) is 3-(2,3-dihydroxypropoxy)butan-2-one.
What is the SMILES notation for 3-(2,3-dihydroxypropoxy)butan-2-one?
The canonical SMILES for 3-(2,3-dihydroxypropoxy)butan-2-one is CC(=O)C(C)OCC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropoxy)butan-2-one?
The InChIKey is WWIDZGPNEWNPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-5(9)6(2)11-4-7(10)3-8/h6-8,10H,3-4H2,1-2H3.
What are the key properties of 3-(2,3-dihydroxypropoxy)butan-2-one?
3-(2,3-dihydroxypropoxy)butan-2-one has a molecular weight of 162.18 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropoxy)butan-2-one is sourced from PubChem (CID 123357821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).