2-prop-2-enoxypropane-1,2-diol

C6H12O3 — CID 57425420

IUPAC2-prop-2-enoxypropane-1,2-diol
SMILESC=CCOC(C)(O)CO
InChIInChI=1S/C6H12O3/c1-3-4-9-6(2,8)5-7/h3,7-8H,1,4-5H2,2H3
InChIKeyZOCNPPYVAZSQRB-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.11
Rot. Bonds4

About 2-prop-2-enoxypropane-1,2-diol

2-prop-2-enoxypropane-1,2-diol (PubChem CID 57425420) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-prop-2-enoxypropane-1,2-diol.

Molecular Properties

Compound Name2-prop-2-enoxypropane-1,2-diol
PubChem CID57425420
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-prop-2-enoxypropane-1,2-diol
SMILESC=CCOC(C)(O)CO
InChIInChI=1S/C6H12O3/c1-3-4-9-6(2,8)5-7/h3,7-8H,1,4-5H2,2H3
InChIKeyZOCNPPYVAZSQRB-UHFFFAOYSA-N
XLogP-0.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-prop-2-enoxypropane-1,2-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 2-prop-2-enoxypropane-1,2-diol?
The IUPAC name of 2-prop-2-enoxypropane-1,2-diol (CID 57425420) is 2-prop-2-enoxypropane-1,2-diol.
What is the SMILES notation for 2-prop-2-enoxypropane-1,2-diol?
The canonical SMILES for 2-prop-2-enoxypropane-1,2-diol is C=CCOC(C)(O)CO.
What is the InChIKey of 2-prop-2-enoxypropane-1,2-diol?
The InChIKey is ZOCNPPYVAZSQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-3-4-9-6(2,8)5-7/h3,7-8H,1,4-5H2,2H3.
What are the key properties of 2-prop-2-enoxypropane-1,2-diol?
2-prop-2-enoxypropane-1,2-diol has a molecular weight of 132.16 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxypropane-1,2-diol is sourced from PubChem (CID 57425420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).