2-(propan-2-yloxymethyl)oxirane

C6H12O2 — CID 19920

IUPAC2-(propan-2-yloxymethyl)oxirane
SMILESCC(C)OCC1CO1
InChIInChI=1S/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3
InChIKeyNWLUZGJDEZBBRH-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.81
Rot. Bonds3

About 2-(propan-2-yloxymethyl)oxirane

2-(propan-2-yloxymethyl)oxirane (PubChem CID 19920) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-(propan-2-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(propan-2-yloxymethyl)oxirane
PubChem CID19920
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-(propan-2-yloxymethyl)oxirane
SMILESCC(C)OCC1CO1
InChIInChI=1S/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3
InChIKeyNWLUZGJDEZBBRH-UHFFFAOYSA-N
XLogP0.81
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.81
H-Bond Donors ≤ 50
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-(propan-2-yloxymethyl)oxirane?
The IUPAC name of 2-(propan-2-yloxymethyl)oxirane (CID 19920) is 2-(propan-2-yloxymethyl)oxirane.
What is the SMILES notation for 2-(propan-2-yloxymethyl)oxirane?
The canonical SMILES for 2-(propan-2-yloxymethyl)oxirane is CC(C)OCC1CO1.
What is the InChIKey of 2-(propan-2-yloxymethyl)oxirane?
The InChIKey is NWLUZGJDEZBBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(propan-2-yloxymethyl)oxirane?
2-(propan-2-yloxymethyl)oxirane has a molecular weight of 116.16 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxymethyl)oxirane is sourced from PubChem (CID 19920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).