2-methyloxirane;2-methylpropan-2-ol

C7H16O2 — CID 141350386

IUPAC2-methyloxirane;2-methylpropan-2-ol
SMILESCC(C)(C)O.CC1CO1
InChIInChI=1S/C4H10O.C3H6O/c1-4(2,3)5;1-3-2-4-3/h5H,1-3H3;3H,2H2,1H3
InChIKeyWAPVBUXFSXGFOA-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.18
Rot. Bonds

About 2-methyloxirane;2-methylpropan-2-ol

2-methyloxirane;2-methylpropan-2-ol (PubChem CID 141350386) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 2-methyloxirane;2-methylpropan-2-ol.

Molecular Properties

Compound Name2-methyloxirane;2-methylpropan-2-ol
PubChem CID141350386
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name2-methyloxirane;2-methylpropan-2-ol
SMILESCC(C)(C)O.CC1CO1
InChIInChI=1S/C4H10O.C3H6O/c1-4(2,3)5;1-3-2-4-3/h5H,1-3H3;3H,2H2,1H3
InChIKeyWAPVBUXFSXGFOA-UHFFFAOYSA-N
XLogP1.18
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyloxirane;2-methylpropan-2-ol?
The IUPAC name of 2-methyloxirane;2-methylpropan-2-ol (CID 141350386) is 2-methyloxirane;2-methylpropan-2-ol.
What is the SMILES notation for 2-methyloxirane;2-methylpropan-2-ol?
The canonical SMILES for 2-methyloxirane;2-methylpropan-2-ol is CC(C)(C)O.CC1CO1.
What is the InChIKey of 2-methyloxirane;2-methylpropan-2-ol?
The InChIKey is WAPVBUXFSXGFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H6O/c1-4(2,3)5;1-3-2-4-3/h5H,1-3H3;3H,2H2,1H3.
What are the key properties of 2-methyloxirane;2-methylpropan-2-ol?
2-methyloxirane;2-methylpropan-2-ol has a molecular weight of 132.20 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;2-methylpropan-2-ol is sourced from PubChem (CID 141350386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).