(3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one

C8H12O3 — CID 100975981

IUPAC(3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one
SMILESC/C=C/[C@@H](O)[C@H]1CCOC1=O
InChIInChI=1S/C8H12O3/c1-2-3-7(9)6-4-5-11-8(6)10/h2-3,6-7,9H,4-5H2,1H3/b3-2+/t6-,7-/m1/s1
InChIKeyAWUUKOIILAECHP-WUCZRCLBSA-N
MW156.18 g/mol
LogP0.49
Rot. Bonds2

About (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one

(3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one (PubChem CID 100975981) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one
PubChem CID100975981
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one
SMILESC/C=C/[C@@H](O)[C@H]1CCOC1=O
InChIInChI=1S/C8H12O3/c1-2-3-7(9)6-4-5-11-8(6)10/h2-3,6-7,9H,4-5H2,1H3/b3-2+/t6-,7-/m1/s1
InChIKeyAWUUKOIILAECHP-WUCZRCLBSA-N
XLogP0.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]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 (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one?
The IUPAC name of (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one (CID 100975981) is (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one?
The canonical SMILES for (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one is C/C=C/[C@@H](O)[C@H]1CCOC1=O.
What is the InChIKey of (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one?
The InChIKey is AWUUKOIILAECHP-WUCZRCLBSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-3-7(9)6-4-5-11-8(6)10/h2-3,6-7,9H,4-5H2,1H3/b3-2+/t6-,7-/m1/s1.
What are the key properties of (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one?
(3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one has a molecular weight of 156.18 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one is sourced from PubChem (CID 100975981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).