2,2-dimethyloxirane;methanol

C5H12O2 — CID 161373463

IUPAC2,2-dimethyloxirane;methanol
SMILESCC1(C)CO1.CO
InChIInChI=1S/C4H8O.CH4O/c1-4(2)3-5-4;1-2/h3H2,1-2H3;2H,1H3
InChIKeyVQTPWNHVDWQMFM-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.40
Rot. Bonds

About 2,2-dimethyloxirane;methanol

2,2-dimethyloxirane;methanol (PubChem CID 161373463) has the molecular formula C5H12O2 and a molecular weight of 104.15 g/mol. Its IUPAC name is 2,2-dimethyloxirane;methanol.

Molecular Properties

Compound Name2,2-dimethyloxirane;methanol
PubChem CID161373463
Molecular FormulaC5H12O2
Molecular Weight104.15 g/mol
Exact Mass104.08
IUPAC Name2,2-dimethyloxirane;methanol
SMILESCC1(C)CO1.CO
InChIInChI=1S/C4H8O.CH4O/c1-4(2)3-5-4;1-2/h3H2,1-2H3;2H,1H3
InChIKeyVQTPWNHVDWQMFM-UHFFFAOYSA-N
XLogP0.40
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.40
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 2,2-dimethyloxirane;methanol?
The IUPAC name of 2,2-dimethyloxirane;methanol (CID 161373463) is 2,2-dimethyloxirane;methanol.
What is the SMILES notation for 2,2-dimethyloxirane;methanol?
The canonical SMILES for 2,2-dimethyloxirane;methanol is CC1(C)CO1.CO.
What is the InChIKey of 2,2-dimethyloxirane;methanol?
The InChIKey is VQTPWNHVDWQMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.CH4O/c1-4(2)3-5-4;1-2/h3H2,1-2H3;2H,1H3.
What are the key properties of 2,2-dimethyloxirane;methanol?
2,2-dimethyloxirane;methanol has a molecular weight of 104.15 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyloxirane;methanol is sourced from PubChem (CID 161373463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).