2-methyl-2-(oxiran-2-ylmethoxymethyl)oxirane

C7H12O3 — CID 14008492

IUPAC2-methyl-2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESCC1(COCC2CO2)CO1
InChIInChI=1S/C7H12O3/c1-7(5-10-7)4-8-2-6-3-9-6/h6H,2-5H2,1H3
InChIKeyRYSXIKKOZBELOW-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.19
Rot. Bonds4

About 2-methyl-2-(oxiran-2-ylmethoxymethyl)oxirane

2-methyl-2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 14008492) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-methyl-2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID14008492
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-methyl-2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESCC1(COCC2CO2)CO1
InChIInChI=1S/C7H12O3/c1-7(5-10-7)4-8-2-6-3-9-6/h6H,2-5H2,1H3
InChIKeyRYSXIKKOZBELOW-UHFFFAOYSA-N
XLogP0.19
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 2-methyl-2-(oxiran-2-ylmethoxymethyl)oxirane (CID 14008492) is 2-methyl-2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 2-methyl-2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 2-methyl-2-(oxiran-2-ylmethoxymethyl)oxirane is CC1(COCC2CO2)CO1.
What is the InChIKey of 2-methyl-2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is RYSXIKKOZBELOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-7(5-10-7)4-8-2-6-3-9-6/h6H,2-5H2,1H3.
What are the key properties of 2-methyl-2-(oxiran-2-ylmethoxymethyl)oxirane?
2-methyl-2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 144.17 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 14008492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).