2-(propan-2-yloxymethyl)oxirane

C12H24O4 — CID 159998967

IUPAC2-(propan-2-yloxymethyl)oxirane
SMILESCC(C)OCC1CO1.CC(C)OCC1CO1
InChIInChI=1S/2C6H12O2/c2*1-5(2)7-3-6-4-8-6/h2*5-6H,3-4H2,1-2H3
InChIKeyOHXMTZHVWAMPFE-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.62
Rot. Bonds6

About 2-(propan-2-yloxymethyl)oxirane

2-(propan-2-yloxymethyl)oxirane (PubChem CID 159998967) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(propan-2-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(propan-2-yloxymethyl)oxirane
PubChem CID159998967
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-(propan-2-yloxymethyl)oxirane
SMILESCC(C)OCC1CO1.CC(C)OCC1CO1
InChIInChI=1S/2C6H12O2/c2*1-5(2)7-3-6-4-8-6/h2*5-6H,3-4H2,1-2H3
InChIKeyOHXMTZHVWAMPFE-UHFFFAOYSA-N
XLogP1.62
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(propan-2-yloxymethyl)-1,4-dioxane
CID 167458864
1-(oxiran-2-ylmethoxy)ethanamine
CID 130292873
2-(1-bromoethoxymethyl)oxirane
CID 20568723
2-(1-iodoethoxymethyl)oxirane
CID 89194519
4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde
CID 174783735
2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane
CID 101275367
2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane
CID 101275344
2-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]oxirane
CID 123358235
2-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane
CID 177277165
2-(hex-4-en-2-yloxymethyl)oxirane
CID 89335517
2-[1-(oxiran-2-ylmethoxy)pentadecoxymethyl]oxirane
CID 176729435
4-(propan-2-yloxymethyl)oxetan-2-one
CID 11829566

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxymethyl)oxirane?
The IUPAC name of 2-(propan-2-yloxymethyl)oxirane (CID 159998967) 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.CC(C)OCC1CO1.
What is the InChIKey of 2-(propan-2-yloxymethyl)oxirane?
The InChIKey is OHXMTZHVWAMPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12O2/c2*1-5(2)7-3-6-4-8-6/h2*5-6H,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 232.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxymethyl)oxirane is sourced from PubChem (CID 159998967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).