(2-prop-2-enyloxiran-2-yl)methanol

C6H10O2 — CID 88604703

IUPAC(2-prop-2-enyloxiran-2-yl)methanol
SMILESC=CCC1(CO)CO1
InChIInChI=1S/C6H10O2/c1-2-3-6(4-7)5-8-6/h2,7H,1,3-5H2
InChIKeyPETIEZCMHUUNJJ-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.32
Rot. Bonds3

About (2-prop-2-enyloxiran-2-yl)methanol

(2-prop-2-enyloxiran-2-yl)methanol (PubChem CID 88604703) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (2-prop-2-enyloxiran-2-yl)methanol.

Molecular Properties

Compound Name(2-prop-2-enyloxiran-2-yl)methanol
PubChem CID88604703
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(2-prop-2-enyloxiran-2-yl)methanol
SMILESC=CCC1(CO)CO1
InChIInChI=1S/C6H10O2/c1-2-3-6(4-7)5-8-6/h2,7H,1,3-5H2
InChIKeyPETIEZCMHUUNJJ-UHFFFAOYSA-N
XLogP0.32
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.32
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-prop-2-enyloxiran-2-yl)methanol 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-enyloxiran-2-yl)methanol?
The IUPAC name of (2-prop-2-enyloxiran-2-yl)methanol (CID 88604703) is (2-prop-2-enyloxiran-2-yl)methanol.
What is the SMILES notation for (2-prop-2-enyloxiran-2-yl)methanol?
The canonical SMILES for (2-prop-2-enyloxiran-2-yl)methanol is C=CCC1(CO)CO1.
What is the InChIKey of (2-prop-2-enyloxiran-2-yl)methanol?
The InChIKey is PETIEZCMHUUNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-3-6(4-7)5-8-6/h2,7H,1,3-5H2.
What are the key properties of (2-prop-2-enyloxiran-2-yl)methanol?
(2-prop-2-enyloxiran-2-yl)methanol has a molecular weight of 114.14 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-enyloxiran-2-yl)methanol is sourced from PubChem (CID 88604703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).