5-hydroxy-4-propan-2-yloxolan-2-one

C7H12O3 — CID 13207309

IUPAC5-hydroxy-4-propan-2-yloxolan-2-one
SMILESCC(C)C1CC(=O)OC1O
InChIInChI=1S/C7H12O3/c1-4(2)5-3-6(8)10-7(5)9/h4-5,7,9H,3H2,1-2H3
InChIKeyQLSPBXMWOVTOTF-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.52
Rot. Bonds1

About 5-hydroxy-4-propan-2-yloxolan-2-one

5-hydroxy-4-propan-2-yloxolan-2-one (PubChem CID 13207309) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 5-hydroxy-4-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name5-hydroxy-4-propan-2-yloxolan-2-one
PubChem CID13207309
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name5-hydroxy-4-propan-2-yloxolan-2-one
SMILESCC(C)C1CC(=O)OC1O
InChIInChI=1S/C7H12O3/c1-4(2)5-3-6(8)10-7(5)9/h4-5,7,9H,3H2,1-2H3
InChIKeyQLSPBXMWOVTOTF-UHFFFAOYSA-N
XLogP0.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-propan-2-yloxolan-2-one?
The IUPAC name of 5-hydroxy-4-propan-2-yloxolan-2-one (CID 13207309) is 5-hydroxy-4-propan-2-yloxolan-2-one.
What is the SMILES notation for 5-hydroxy-4-propan-2-yloxolan-2-one?
The canonical SMILES for 5-hydroxy-4-propan-2-yloxolan-2-one is CC(C)C1CC(=O)OC1O.
What is the InChIKey of 5-hydroxy-4-propan-2-yloxolan-2-one?
The InChIKey is QLSPBXMWOVTOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-4(2)5-3-6(8)10-7(5)9/h4-5,7,9H,3H2,1-2H3.
What are the key properties of 5-hydroxy-4-propan-2-yloxolan-2-one?
5-hydroxy-4-propan-2-yloxolan-2-one has a molecular weight of 144.17 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-propan-2-yloxolan-2-one is sourced from PubChem (CID 13207309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).