2-[(2R,3R)-2-(2-hydroxyethyl)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol

C8H16O4 — CID 162992333

IUPAC2-[(2R,3R)-2-(2-hydroxyethyl)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol
SMILESCC(C)(O)[C@]1(CCO)O[C@@H]1CO
InChIInChI=1S/C8H16O4/c1-7(2,11)8(3-4-9)6(5-10)12-8/h6,9-11H,3-5H2,1-2H3/t6-,8-/m1/s1
InChIKeyIGPCRMICZJFRCK-HTRCEHHLSA-N
MW176.21 g/mol
LogP-0.73
Rot. Bonds4

About 2-[(2R,3R)-2-(2-hydroxyethyl)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol

2-[(2R,3R)-2-(2-hydroxyethyl)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol (PubChem CID 162992333) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-[(2R,3R)-2-(2-hydroxyethyl)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R,3R)-2-(2-hydroxyethyl)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol
PubChem CID162992333
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-[(2R,3R)-2-(2-hydroxyethyl)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol
SMILESCC(C)(O)[C@]1(CCO)O[C@@H]1CO
InChIInChI=1S/C8H16O4/c1-7(2,11)8(3-4-9)6(5-10)12-8/h6,9-11H,3-5H2,1-2H3/t6-,8-/m1/s1
InChIKeyIGPCRMICZJFRCK-HTRCEHHLSA-N
XLogP-0.73
TPSA73.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-2-(2-hydroxyethyl)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R,3R)-2-(2-hydroxyethyl)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol (CID 162992333) is 2-[(2R,3R)-2-(2-hydroxyethyl)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R,3R)-2-(2-hydroxyethyl)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R,3R)-2-(2-hydroxyethyl)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol is CC(C)(O)[C@]1(CCO)O[C@@H]1CO.
What is the InChIKey of 2-[(2R,3R)-2-(2-hydroxyethyl)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol?
The InChIKey is IGPCRMICZJFRCK-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H16O4/c1-7(2,11)8(3-4-9)6(5-10)12-8/h6,9-11H,3-5H2,1-2H3/t6-,8-/m1/s1.
What are the key properties of 2-[(2R,3R)-2-(2-hydroxyethyl)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol?
2-[(2R,3R)-2-(2-hydroxyethyl)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol has a molecular weight of 176.21 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-2-(2-hydroxyethyl)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol is sourced from PubChem (CID 162992333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).