butan-2-ol;2-methyloxirane

C7H16O2 — CID 161079441

IUPACbutan-2-ol;2-methyloxirane
SMILESCC1CO1.CCC(C)O
InChIInChI=1S/C4H10O.C3H6O/c1-3-4(2)5;1-3-2-4-3/h4-5H,3H2,1-2H3;3H,2H2,1H3
InChIKeyUFSHESWZZNEOCO-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.18
Rot. Bonds1

About butan-2-ol;2-methyloxirane

butan-2-ol;2-methyloxirane (PubChem CID 161079441) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is butan-2-ol;2-methyloxirane.

Molecular Properties

Compound Namebutan-2-ol;2-methyloxirane
PubChem CID161079441
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Namebutan-2-ol;2-methyloxirane
SMILESCC1CO1.CCC(C)O
InChIInChI=1S/C4H10O.C3H6O/c1-3-4(2)5;1-3-2-4-3/h4-5H,3H2,1-2H3;3H,2H2,1H3
InChIKeyUFSHESWZZNEOCO-UHFFFAOYSA-N
XLogP1.18
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butan-2-ol;2-methyloxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-methyloxirane);(2R)-propane-1,2-diol;hydrate
CID 159169454
methanamine;2-methyloxirane;pentan-2-ol
CID 159958720
2-methyloxirane;oxirane;propan-2-ol
CID 22467713
ethanamine;1-(ethylamino)propan-2-ol;2-methyloxirane
CID 161310454
1-(5-methyloxolan-3-yl)propan-1-ol
CID 115787725
tris(butan-2-ol);gallane
CID 175569742
pentakis(butan-2-ol);molybdenum
CID 152613437
aluminum butan-2-ol
CID 23623700
CID 157498325
CID 157498325
butan-2-ol;ethanol
CID 174347632
butan-2-ol;ethanol
CID 87396559
bis(butan-2-ol);carbanide;tantalum
CID 22416357

Frequently Asked Questions

What is the IUPAC name of butan-2-ol;2-methyloxirane?
The IUPAC name of butan-2-ol;2-methyloxirane (CID 161079441) is butan-2-ol;2-methyloxirane.
What is the SMILES notation for butan-2-ol;2-methyloxirane?
The canonical SMILES for butan-2-ol;2-methyloxirane is CC1CO1.CCC(C)O.
What is the InChIKey of butan-2-ol;2-methyloxirane?
The InChIKey is UFSHESWZZNEOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H6O/c1-3-4(2)5;1-3-2-4-3/h4-5H,3H2,1-2H3;3H,2H2,1H3.
What are the key properties of butan-2-ol;2-methyloxirane?
butan-2-ol;2-methyloxirane has a molecular weight of 132.20 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;2-methyloxirane is sourced from PubChem (CID 161079441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).