(4R,5R)-5-hydroxy-4-propan-2-yloxolan-2-one

C7H12O3 — CID 58176054

IUPAC(4R,5R)-5-hydroxy-4-propan-2-yloxolan-2-one
SMILESCC(C)[C@H]1CC(=O)O[C@H]1O
InChIInChI=1S/C7H12O3/c1-4(2)5-3-6(8)10-7(5)9/h4-5,7,9H,3H2,1-2H3/t5-,7-/m1/s1
InChIKeyQLSPBXMWOVTOTF-IYSWYEEDSA-N
MW144.17 g/mol
LogP0.52
Rot. Bonds1

About (4R,5R)-5-hydroxy-4-propan-2-yloxolan-2-one

(4R,5R)-5-hydroxy-4-propan-2-yloxolan-2-one (PubChem CID 58176054) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (4R,5R)-5-hydroxy-4-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-5-hydroxy-4-propan-2-yloxolan-2-one
PubChem CID58176054
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(4R,5R)-5-hydroxy-4-propan-2-yloxolan-2-one
SMILESCC(C)[C@H]1CC(=O)O[C@H]1O
InChIInChI=1S/C7H12O3/c1-4(2)5-3-6(8)10-7(5)9/h4-5,7,9H,3H2,1-2H3/t5-,7-/m1/s1
InChIKeyQLSPBXMWOVTOTF-IYSWYEEDSA-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 (4R,5R)-5-hydroxy-4-propan-2-yloxolan-2-one?
The IUPAC name of (4R,5R)-5-hydroxy-4-propan-2-yloxolan-2-one (CID 58176054) is (4R,5R)-5-hydroxy-4-propan-2-yloxolan-2-one.
What is the SMILES notation for (4R,5R)-5-hydroxy-4-propan-2-yloxolan-2-one?
The canonical SMILES for (4R,5R)-5-hydroxy-4-propan-2-yloxolan-2-one is CC(C)[C@H]1CC(=O)O[C@H]1O.
What is the InChIKey of (4R,5R)-5-hydroxy-4-propan-2-yloxolan-2-one?
The InChIKey is QLSPBXMWOVTOTF-IYSWYEEDSA-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/t5-,7-/m1/s1.
What are the key properties of (4R,5R)-5-hydroxy-4-propan-2-yloxolan-2-one?
(4R,5R)-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 (4R,5R)-5-hydroxy-4-propan-2-yloxolan-2-one is sourced from PubChem (CID 58176054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).