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

C7H14O2 — CID 12702709

IUPAC1-(2-methyloxiran-2-yl)butan-2-ol
SMILESCCC(O)CC1(C)CO1
InChIInChI=1S/C7H14O2/c1-3-6(8)4-7(2)5-9-7/h6,8H,3-5H2,1-2H3
InChIKeyZTFBRCXFEUKEFU-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.94
Rot. Bonds3

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

1-(2-methyloxiran-2-yl)butan-2-ol (PubChem CID 12702709) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-(2-methyloxiran-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(2-methyloxiran-2-yl)butan-2-ol
PubChem CID12702709
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name1-(2-methyloxiran-2-yl)butan-2-ol
SMILESCCC(O)CC1(C)CO1
InChIInChI=1S/C7H14O2/c1-3-6(8)4-7(2)5-9-7/h6,8H,3-5H2,1-2H3
InChIKeyZTFBRCXFEUKEFU-UHFFFAOYSA-N
XLogP0.94
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.94
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)butan-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 1-(2-methyloxiran-2-yl)butan-2-ol?
The IUPAC name of 1-(2-methyloxiran-2-yl)butan-2-ol (CID 12702709) is 1-(2-methyloxiran-2-yl)butan-2-ol.
What is the SMILES notation for 1-(2-methyloxiran-2-yl)butan-2-ol?
The canonical SMILES for 1-(2-methyloxiran-2-yl)butan-2-ol is CCC(O)CC1(C)CO1.
What is the InChIKey of 1-(2-methyloxiran-2-yl)butan-2-ol?
The InChIKey is ZTFBRCXFEUKEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-6(8)4-7(2)5-9-7/h6,8H,3-5H2,1-2H3.
What are the key properties of 1-(2-methyloxiran-2-yl)butan-2-ol?
1-(2-methyloxiran-2-yl)butan-2-ol has a molecular weight of 130.19 g/mol, XLogP of 0.94, 3 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)butan-2-ol is sourced from PubChem (CID 12702709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).