2-ethyl-2-(2-methylprop-1-enoxymethyl)oxirane

C9H16O2 — CID 176603818

IUPAC2-ethyl-2-(2-methylprop-1-enoxymethyl)oxirane
SMILESCCC1(COC=C(C)C)CO1
InChIInChI=1S/C9H16O2/c1-4-9(7-11-9)6-10-5-8(2)3/h5H,4,6-7H2,1-3H3
InChIKeyWQCUPHQZKAZFAR-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds4

About 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxirane

2-ethyl-2-(2-methylprop-1-enoxymethyl)oxirane (PubChem CID 176603818) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-ethyl-2-(2-methylprop-1-enoxymethyl)oxirane
PubChem CID176603818
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-ethyl-2-(2-methylprop-1-enoxymethyl)oxirane
SMILESCCC1(COC=C(C)C)CO1
InChIInChI=1S/C9H16O2/c1-4-9(7-11-9)6-10-5-8(2)3/h5H,4,6-7H2,1-3H3
InChIKeyWQCUPHQZKAZFAR-UHFFFAOYSA-N
XLogP2.11
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxirane
CID 149853181
2-Ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane
CID 176602940
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxirane
CID 176603520
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxirane
CID 176603567
2-Methyl-2-(2-methylprop-1-enoxymethyl)oxirane
CID 176604213
2-[1-(2-Methylprop-1-enoxy)ethyl]oxirane
CID 176604373

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxirane?
The IUPAC name of 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxirane (CID 176603818) is 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxirane.
What is the SMILES notation for 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxirane?
The canonical SMILES for 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxirane is CCC1(COC=C(C)C)CO1.
What is the InChIKey of 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxirane?
The InChIKey is WQCUPHQZKAZFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9(7-11-9)6-10-5-8(2)3/h5H,4,6-7H2,1-3H3.
What are the key properties of 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxirane?
2-ethyl-2-(2-methylprop-1-enoxymethyl)oxirane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxirane is sourced from PubChem (CID 176603818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).