1-(3-methyloxiran-2-yl)propane-1,3-diol

C6H12O3 — CID 18506415

IUPAC1-(3-methyloxiran-2-yl)propane-1,3-diol
SMILESCC1OC1C(O)CCO
InChIInChI=1S/C6H12O3/c1-4-6(9-4)5(8)2-3-7/h4-8H,2-3H2,1H3
InChIKeyMWHDUCYLUJKGFJ-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.48
Rot. Bonds3

About 1-(3-methyloxiran-2-yl)propane-1,3-diol

1-(3-methyloxiran-2-yl)propane-1,3-diol (PubChem CID 18506415) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 1-(3-methyloxiran-2-yl)propane-1,3-diol.

Molecular Properties

Compound Name1-(3-methyloxiran-2-yl)propane-1,3-diol
PubChem CID18506415
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name1-(3-methyloxiran-2-yl)propane-1,3-diol
SMILESCC1OC1C(O)CCO
InChIInChI=1S/C6H12O3/c1-4-6(9-4)5(8)2-3-7/h4-8H,2-3H2,1H3
InChIKeyMWHDUCYLUJKGFJ-UHFFFAOYSA-N
XLogP-0.48
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-methyloxiran-2-yl)propane-1,3-diol 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 1-(3-methyloxiran-2-yl)propane-1,3-diol?
The IUPAC name of 1-(3-methyloxiran-2-yl)propane-1,3-diol (CID 18506415) is 1-(3-methyloxiran-2-yl)propane-1,3-diol.
What is the SMILES notation for 1-(3-methyloxiran-2-yl)propane-1,3-diol?
The canonical SMILES for 1-(3-methyloxiran-2-yl)propane-1,3-diol is CC1OC1C(O)CCO.
What is the InChIKey of 1-(3-methyloxiran-2-yl)propane-1,3-diol?
The InChIKey is MWHDUCYLUJKGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-4-6(9-4)5(8)2-3-7/h4-8H,2-3H2,1H3.
What are the key properties of 1-(3-methyloxiran-2-yl)propane-1,3-diol?
1-(3-methyloxiran-2-yl)propane-1,3-diol has a molecular weight of 132.16 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxiran-2-yl)propane-1,3-diol is sourced from PubChem (CID 18506415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).