2-methyl-2-propyloxirane

C6H12O — CID 520806

IUPAC2-methyl-2-propyloxirane
SMILESCCCC1(C)CO1
InChIInChI=1S/C6H12O/c1-3-4-6(2)5-7-6/h3-5H2,1-2H3
InChIKeyFFXMEOKFDOVSGT-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.58
Rot. Bonds2

About 2-methyl-2-propyloxirane

2-methyl-2-propyloxirane (PubChem CID 520806) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 2-methyl-2-propyloxirane.

Molecular Properties

Compound Name2-methyl-2-propyloxirane
PubChem CID520806
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name2-methyl-2-propyloxirane
SMILESCCCC1(C)CO1
InChIInChI=1S/C6H12O/c1-3-4-6(2)5-7-6/h3-5H2,1-2H3
InChIKeyFFXMEOKFDOVSGT-UHFFFAOYSA-N
XLogP1.58
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.58
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-methyl-2-propyloxirane?
The IUPAC name of 2-methyl-2-propyloxirane (CID 520806) is 2-methyl-2-propyloxirane.
What is the SMILES notation for 2-methyl-2-propyloxirane?
The canonical SMILES for 2-methyl-2-propyloxirane is CCCC1(C)CO1.
What is the InChIKey of 2-methyl-2-propyloxirane?
The InChIKey is FFXMEOKFDOVSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-3-4-6(2)5-7-6/h3-5H2,1-2H3.
What are the key properties of 2-methyl-2-propyloxirane?
2-methyl-2-propyloxirane has a molecular weight of 100.16 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propyloxirane is sourced from PubChem (CID 520806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).