methanol;2-methyloxirane

C4H10O2 — CID 19098831

IUPACmethanol;2-methyloxirane
SMILESCC1CO1.CO
InChIInChI=1S/C3H6O.CH4O/c1-3-2-4-3;1-2/h3H,2H2,1H3;2H,1H3
InChIKeyVMHGDJPGFBFCDG-UHFFFAOYSA-N
MW90.12 g/mol
LogP0.01
Rot. Bonds

About methanol;2-methyloxirane

methanol;2-methyloxirane (PubChem CID 19098831) has the molecular formula C4H10O2 and a molecular weight of 90.12 g/mol. Its IUPAC name is methanol;2-methyloxirane.

Molecular Properties

Compound Namemethanol;2-methyloxirane
PubChem CID19098831
Molecular FormulaC4H10O2
Molecular Weight90.12 g/mol
Exact Mass90.07
IUPAC Namemethanol;2-methyloxirane
SMILESCC1CO1.CO
InChIInChI=1S/C3H6O.CH4O/c1-3-2-4-3;1-2/h3H,2H2,1H3;2H,1H3
InChIKeyVMHGDJPGFBFCDG-UHFFFAOYSA-N
XLogP0.01
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 50.01
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 methanol;2-methyloxirane?
The IUPAC name of methanol;2-methyloxirane (CID 19098831) is methanol;2-methyloxirane.
What is the SMILES notation for methanol;2-methyloxirane?
The canonical SMILES for methanol;2-methyloxirane is CC1CO1.CO.
What is the InChIKey of methanol;2-methyloxirane?
The InChIKey is VMHGDJPGFBFCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.CH4O/c1-3-2-4-3;1-2/h3H,2H2,1H3;2H,1H3.
What are the key properties of methanol;2-methyloxirane?
methanol;2-methyloxirane has a molecular weight of 90.12 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-methyloxirane is sourced from PubChem (CID 19098831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).