2-methoxy-2-(2-methoxyethoxy)-3-methyloxirane

C7H14O4 — CID 54186191

IUPAC2-methoxy-2-(2-methoxyethoxy)-3-methyloxirane
SMILESCOCCOC1(OC)OC1C
InChIInChI=1S/C7H14O4/c1-6-7(9-3,11-6)10-5-4-8-2/h6H,4-5H2,1-3H3
InChIKeyPFGWDZPSIQGSJU-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.37
Rot. Bonds5

About 2-methoxy-2-(2-methoxyethoxy)-3-methyloxirane

2-methoxy-2-(2-methoxyethoxy)-3-methyloxirane (PubChem CID 54186191) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 2-methoxy-2-(2-methoxyethoxy)-3-methyloxirane.

Molecular Properties

Compound Name2-methoxy-2-(2-methoxyethoxy)-3-methyloxirane
PubChem CID54186191
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name2-methoxy-2-(2-methoxyethoxy)-3-methyloxirane
SMILESCOCCOC1(OC)OC1C
InChIInChI=1S/C7H14O4/c1-6-7(9-3,11-6)10-5-4-8-2/h6H,4-5H2,1-3H3
InChIKeyPFGWDZPSIQGSJU-UHFFFAOYSA-N
XLogP0.37
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(2-methoxyethoxy)-3-methyloxirane?
The IUPAC name of 2-methoxy-2-(2-methoxyethoxy)-3-methyloxirane (CID 54186191) is 2-methoxy-2-(2-methoxyethoxy)-3-methyloxirane.
What is the SMILES notation for 2-methoxy-2-(2-methoxyethoxy)-3-methyloxirane?
The canonical SMILES for 2-methoxy-2-(2-methoxyethoxy)-3-methyloxirane is COCCOC1(OC)OC1C.
What is the InChIKey of 2-methoxy-2-(2-methoxyethoxy)-3-methyloxirane?
The InChIKey is PFGWDZPSIQGSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-6-7(9-3,11-6)10-5-4-8-2/h6H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-2-(2-methoxyethoxy)-3-methyloxirane?
2-methoxy-2-(2-methoxyethoxy)-3-methyloxirane has a molecular weight of 162.18 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(2-methoxyethoxy)-3-methyloxirane is sourced from PubChem (CID 54186191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).