(2R)-2-[2-[(2R,3S)-3-hydroxyoxan-2-yl]ethyl]oxan-3-one

C12H20O4 — CID 10846957

IUPAC(2R)-2-[2-[(2R,3S)-3-hydroxyoxan-2-yl]ethyl]oxan-3-one
SMILESO=C1CCCO[C@@H]1CC[C@H]1OCCC[C@@H]1O
InChIInChI=1S/C12H20O4/c13-9-3-1-7-15-11(9)5-6-12-10(14)4-2-8-16-12/h9,11-13H,1-8H2/t9-,11+,12+/m0/s1
InChIKeyIBBUMFUZTIVCEW-MVWJERBFSA-N
MW228.29 g/mol
LogP1.05
Rot. Bonds3

About (2R)-2-[2-[(2R,3S)-3-hydroxyoxan-2-yl]ethyl]oxan-3-one

(2R)-2-[2-[(2R,3S)-3-hydroxyoxan-2-yl]ethyl]oxan-3-one (PubChem CID 10846957) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-2-[2-[(2R,3S)-3-hydroxyoxan-2-yl]ethyl]oxan-3-one.

Molecular Properties

Compound Name(2R)-2-[2-[(2R,3S)-3-hydroxyoxan-2-yl]ethyl]oxan-3-one
PubChem CID10846957
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name(2R)-2-[2-[(2R,3S)-3-hydroxyoxan-2-yl]ethyl]oxan-3-one
SMILESO=C1CCCO[C@@H]1CC[C@H]1OCCC[C@@H]1O
InChIInChI=1S/C12H20O4/c13-9-3-1-7-15-11(9)5-6-12-10(14)4-2-8-16-12/h9,11-13H,1-8H2/t9-,11+,12+/m0/s1
InChIKeyIBBUMFUZTIVCEW-MVWJERBFSA-N
XLogP1.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[2-[(2R,3S)-3-hydroxyoxan-2-yl]ethyl]oxan-3-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 (2R)-2-[2-[(2R,3S)-3-hydroxyoxan-2-yl]ethyl]oxan-3-one?
The IUPAC name of (2R)-2-[2-[(2R,3S)-3-hydroxyoxan-2-yl]ethyl]oxan-3-one (CID 10846957) is (2R)-2-[2-[(2R,3S)-3-hydroxyoxan-2-yl]ethyl]oxan-3-one.
What is the SMILES notation for (2R)-2-[2-[(2R,3S)-3-hydroxyoxan-2-yl]ethyl]oxan-3-one?
The canonical SMILES for (2R)-2-[2-[(2R,3S)-3-hydroxyoxan-2-yl]ethyl]oxan-3-one is O=C1CCCO[C@@H]1CC[C@H]1OCCC[C@@H]1O.
What is the InChIKey of (2R)-2-[2-[(2R,3S)-3-hydroxyoxan-2-yl]ethyl]oxan-3-one?
The InChIKey is IBBUMFUZTIVCEW-MVWJERBFSA-N. The full InChI is InChI=1S/C12H20O4/c13-9-3-1-7-15-11(9)5-6-12-10(14)4-2-8-16-12/h9,11-13H,1-8H2/t9-,11+,12+/m0/s1.
What are the key properties of (2R)-2-[2-[(2R,3S)-3-hydroxyoxan-2-yl]ethyl]oxan-3-one?
(2R)-2-[2-[(2R,3S)-3-hydroxyoxan-2-yl]ethyl]oxan-3-one has a molecular weight of 228.29 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[(2R,3S)-3-hydroxyoxan-2-yl]ethyl]oxan-3-one is sourced from PubChem (CID 10846957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).