3-hydroxy-4-propan-2-yloxolan-2-one

C7H12O3 — CID 130147682

IUPAC3-hydroxy-4-propan-2-yloxolan-2-one
SMILESCC(C)C1COC(=O)C1O
InChIInChI=1S/C7H12O3/c1-4(2)5-3-10-7(9)6(5)8/h4-6,8H,3H2,1-2H3
InChIKeyWIKBXUQLDQEXJN-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.18
Rot. Bonds1

About 3-hydroxy-4-propan-2-yloxolan-2-one

3-hydroxy-4-propan-2-yloxolan-2-one (PubChem CID 130147682) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-hydroxy-4-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name3-hydroxy-4-propan-2-yloxolan-2-one
PubChem CID130147682
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name3-hydroxy-4-propan-2-yloxolan-2-one
SMILESCC(C)C1COC(=O)C1O
InChIInChI=1S/C7H12O3/c1-4(2)5-3-10-7(9)6(5)8/h4-6,8H,3H2,1-2H3
InChIKeyWIKBXUQLDQEXJN-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-propan-2-yloxolan-2-one?
The IUPAC name of 3-hydroxy-4-propan-2-yloxolan-2-one (CID 130147682) is 3-hydroxy-4-propan-2-yloxolan-2-one.
What is the SMILES notation for 3-hydroxy-4-propan-2-yloxolan-2-one?
The canonical SMILES for 3-hydroxy-4-propan-2-yloxolan-2-one is CC(C)C1COC(=O)C1O.
What is the InChIKey of 3-hydroxy-4-propan-2-yloxolan-2-one?
The InChIKey is WIKBXUQLDQEXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-4(2)5-3-10-7(9)6(5)8/h4-6,8H,3H2,1-2H3.
What are the key properties of 3-hydroxy-4-propan-2-yloxolan-2-one?
3-hydroxy-4-propan-2-yloxolan-2-one has a molecular weight of 144.17 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-propan-2-yloxolan-2-one is sourced from PubChem (CID 130147682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).