(4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one

C8H14O4 — CID 58151972

IUPAC(4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one
SMILESCC(C)C[C@H]1OC(=O)C(O)[C@H]1O
InChIInChI=1S/C8H14O4/c1-4(2)3-5-6(9)7(10)8(11)12-5/h4-7,9-10H,3H2,1-2H3/t5-,6+,7?/m1/s1
InChIKeyLOINRHMYFYYXKW-JEAXJGTLSA-N
MW174.20 g/mol
LogP-0.32
Rot. Bonds2

About (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one

(4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one (PubChem CID 58151972) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one
PubChem CID58151972
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one
SMILESCC(C)C[C@H]1OC(=O)C(O)[C@H]1O
InChIInChI=1S/C8H14O4/c1-4(2)3-5-6(9)7(10)8(11)12-5/h4-7,9-10H,3H2,1-2H3/t5-,6+,7?/m1/s1
InChIKeyLOINRHMYFYYXKW-JEAXJGTLSA-N
XLogP-0.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one?
The IUPAC name of (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one (CID 58151972) is (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one.
What is the SMILES notation for (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one?
The canonical SMILES for (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one is CC(C)C[C@H]1OC(=O)C(O)[C@H]1O.
What is the InChIKey of (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one?
The InChIKey is LOINRHMYFYYXKW-JEAXJGTLSA-N. The full InChI is InChI=1S/C8H14O4/c1-4(2)3-5-6(9)7(10)8(11)12-5/h4-7,9-10H,3H2,1-2H3/t5-,6+,7?/m1/s1.
What are the key properties of (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one?
(4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one has a molecular weight of 174.20 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one is sourced from PubChem (CID 58151972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).