1-(2-methyloxiran-2-yl)propan-1-ol

C6H12O2 — CID 12865500

IUPAC1-(2-methyloxiran-2-yl)propan-1-ol
SMILESCCC(O)C1(C)CO1
InChIInChI=1S/C6H12O2/c1-3-5(7)6(2)4-8-6/h5,7H,3-4H2,1-2H3
InChIKeyJOULHMRAPSKNHJ-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds2

About 1-(2-methyloxiran-2-yl)propan-1-ol

1-(2-methyloxiran-2-yl)propan-1-ol (PubChem CID 12865500) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-(2-methyloxiran-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-methyloxiran-2-yl)propan-1-ol
PubChem CID12865500
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name1-(2-methyloxiran-2-yl)propan-1-ol
SMILESCCC(O)C1(C)CO1
InChIInChI=1S/C6H12O2/c1-3-5(7)6(2)4-8-6/h5,7H,3-4H2,1-2H3
InChIKeyJOULHMRAPSKNHJ-UHFFFAOYSA-N
XLogP0.55
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-methyloxiran-2-yl)propan-1-ol 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-(2-methyloxiran-2-yl)propan-1-ol?
The IUPAC name of 1-(2-methyloxiran-2-yl)propan-1-ol (CID 12865500) is 1-(2-methyloxiran-2-yl)propan-1-ol.
What is the SMILES notation for 1-(2-methyloxiran-2-yl)propan-1-ol?
The canonical SMILES for 1-(2-methyloxiran-2-yl)propan-1-ol is CCC(O)C1(C)CO1.
What is the InChIKey of 1-(2-methyloxiran-2-yl)propan-1-ol?
The InChIKey is JOULHMRAPSKNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-5(7)6(2)4-8-6/h5,7H,3-4H2,1-2H3.
What are the key properties of 1-(2-methyloxiran-2-yl)propan-1-ol?
1-(2-methyloxiran-2-yl)propan-1-ol has a molecular weight of 116.16 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxiran-2-yl)propan-1-ol is sourced from PubChem (CID 12865500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).