2-(2-prop-1-enyloxiran-2-yl)ethanol

C7H12O2 — CID 57190939

IUPAC2-(2-prop-1-enyloxiran-2-yl)ethanol
SMILESCC=CC1(CCO)CO1
InChIInChI=1S/C7H12O2/c1-2-3-7(4-5-8)6-9-7/h2-3,8H,4-6H2,1H3
InChIKeyATTDBGDWGJGYNP-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.71
Rot. Bonds3

About 2-(2-prop-1-enyloxiran-2-yl)ethanol

2-(2-prop-1-enyloxiran-2-yl)ethanol (PubChem CID 57190939) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-(2-prop-1-enyloxiran-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-prop-1-enyloxiran-2-yl)ethanol
PubChem CID57190939
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-(2-prop-1-enyloxiran-2-yl)ethanol
SMILESCC=CC1(CCO)CO1
InChIInChI=1S/C7H12O2/c1-2-3-7(4-5-8)6-9-7/h2-3,8H,4-6H2,1H3
InChIKeyATTDBGDWGJGYNP-UHFFFAOYSA-N
XLogP0.71
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-prop-1-enyloxiran-2-yl)ethanol 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-(2-prop-1-enyloxiran-2-yl)ethanol?
The IUPAC name of 2-(2-prop-1-enyloxiran-2-yl)ethanol (CID 57190939) is 2-(2-prop-1-enyloxiran-2-yl)ethanol.
What is the SMILES notation for 2-(2-prop-1-enyloxiran-2-yl)ethanol?
The canonical SMILES for 2-(2-prop-1-enyloxiran-2-yl)ethanol is CC=CC1(CCO)CO1.
What is the InChIKey of 2-(2-prop-1-enyloxiran-2-yl)ethanol?
The InChIKey is ATTDBGDWGJGYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-3-7(4-5-8)6-9-7/h2-3,8H,4-6H2,1H3.
What are the key properties of 2-(2-prop-1-enyloxiran-2-yl)ethanol?
2-(2-prop-1-enyloxiran-2-yl)ethanol has a molecular weight of 128.17 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-1-enyloxiran-2-yl)ethanol is sourced from PubChem (CID 57190939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).