2-methyl-1-(oxiran-2-yl)propan-2-ol

C6H12O2 — CID 10240797

IUPAC2-methyl-1-(oxiran-2-yl)propan-2-ol
SMILESCC(C)(O)CC1CO1
InChIInChI=1S/C6H12O2/c1-6(2,7)3-5-4-8-5/h5,7H,3-4H2,1-2H3
InChIKeyJPFWEKMZRADUPG-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds2

About 2-methyl-1-(oxiran-2-yl)propan-2-ol

2-methyl-1-(oxiran-2-yl)propan-2-ol (PubChem CID 10240797) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-methyl-1-(oxiran-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(oxiran-2-yl)propan-2-ol
PubChem CID10240797
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-methyl-1-(oxiran-2-yl)propan-2-ol
SMILESCC(C)(O)CC1CO1
InChIInChI=1S/C6H12O2/c1-6(2,7)3-5-4-8-5/h5,7H,3-4H2,1-2H3
InChIKeyJPFWEKMZRADUPG-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 2-methyl-1-(oxiran-2-yl)propan-2-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 2-methyl-1-(oxiran-2-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(oxiran-2-yl)propan-2-ol (CID 10240797) is 2-methyl-1-(oxiran-2-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(oxiran-2-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(oxiran-2-yl)propan-2-ol is CC(C)(O)CC1CO1.
What is the InChIKey of 2-methyl-1-(oxiran-2-yl)propan-2-ol?
The InChIKey is JPFWEKMZRADUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(2,7)3-5-4-8-5/h5,7H,3-4H2,1-2H3.
What are the key properties of 2-methyl-1-(oxiran-2-yl)propan-2-ol?
2-methyl-1-(oxiran-2-yl)propan-2-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 2-methyl-1-(oxiran-2-yl)propan-2-ol is sourced from PubChem (CID 10240797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).