2-methyloxirane;polane

C3H8OPo — CID 173240072

IUPAC2-methyloxirane;polane
SMILESCC1CO1.[PoH2]
InChIInChI=1S/C3H6O.Po.2H/c1-3-2-4-3;;;/h3H,2H2,1H3;;;
InChIKeyXQWLNJSAKWWDCM-UHFFFAOYSA-N
MW269.10 g/mol
LogP-0.51
Rot. Bonds

About 2-methyloxirane;polane

2-methyloxirane;polane (PubChem CID 173240072) has the molecular formula C3H8OPo and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-methyloxirane;polane.

Molecular Properties

Compound Name2-methyloxirane;polane
PubChem CID173240072
Molecular FormulaC3H8OPo
Molecular Weight269.10 g/mol
Exact Mass269.04
IUPAC Name2-methyloxirane;polane
SMILESCC1CO1.[PoH2]
InChIInChI=1S/C3H6O.Po.2H/c1-3-2-4-3;;;/h3H,2H2,1H3;;;
InChIKeyXQWLNJSAKWWDCM-UHFFFAOYSA-N
XLogP-0.51
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;polane?
The IUPAC name of 2-methyloxirane;polane (CID 173240072) is 2-methyloxirane;polane.
What is the SMILES notation for 2-methyloxirane;polane?
The canonical SMILES for 2-methyloxirane;polane is CC1CO1.[PoH2].
What is the InChIKey of 2-methyloxirane;polane?
The InChIKey is XQWLNJSAKWWDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.Po.2H/c1-3-2-4-3;;;/h3H,2H2,1H3;;;.
What are the key properties of 2-methyloxirane;polane?
2-methyloxirane;polane has a molecular weight of 269.10 g/mol, XLogP of -0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;polane is sourced from PubChem (CID 173240072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).