2-methyl-2-(2-propoxyethoxymethyl)oxirane

C9H18O3 — CID 59969166

IUPAC2-methyl-2-(2-propoxyethoxymethyl)oxirane
SMILESCCCOCCOCC1(C)CO1
InChIInChI=1S/C9H18O3/c1-3-4-10-5-6-11-7-9(2)8-12-9/h3-8H2,1-2H3
InChIKeyWKXOYHHVGQXRFU-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.22
Rot. Bonds7

About 2-methyl-2-(2-propoxyethoxymethyl)oxirane

2-methyl-2-(2-propoxyethoxymethyl)oxirane (PubChem CID 59969166) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-methyl-2-(2-propoxyethoxymethyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(2-propoxyethoxymethyl)oxirane
PubChem CID59969166
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-methyl-2-(2-propoxyethoxymethyl)oxirane
SMILESCCCOCCOCC1(C)CO1
InChIInChI=1S/C9H18O3/c1-3-4-10-5-6-11-7-9(2)8-12-9/h3-8H2,1-2H3
InChIKeyWKXOYHHVGQXRFU-UHFFFAOYSA-N
XLogP1.22
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-methyl-2-(2-propoxyethoxymethyl)oxirane?
The IUPAC name of 2-methyl-2-(2-propoxyethoxymethyl)oxirane (CID 59969166) is 2-methyl-2-(2-propoxyethoxymethyl)oxirane.
What is the SMILES notation for 2-methyl-2-(2-propoxyethoxymethyl)oxirane?
The canonical SMILES for 2-methyl-2-(2-propoxyethoxymethyl)oxirane is CCCOCCOCC1(C)CO1.
What is the InChIKey of 2-methyl-2-(2-propoxyethoxymethyl)oxirane?
The InChIKey is WKXOYHHVGQXRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-3-4-10-5-6-11-7-9(2)8-12-9/h3-8H2,1-2H3.
What are the key properties of 2-methyl-2-(2-propoxyethoxymethyl)oxirane?
2-methyl-2-(2-propoxyethoxymethyl)oxirane has a molecular weight of 174.24 g/mol, XLogP of 1.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-propoxyethoxymethyl)oxirane is sourced from PubChem (CID 59969166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).