2-(2-methylprop-1-enoxy)oxirane

C6H10O2 — CID 174917299

IUPAC2-(2-methylprop-1-enoxy)oxirane
SMILESCC(C)=COC1CO1
InChIInChI=1S/C6H10O2/c1-5(2)3-7-6-4-8-6/h3,6H,4H2,1-2H3
InChIKeyLJKJIQZXUQIJBK-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.28
Rot. Bonds2

About 2-(2-methylprop-1-enoxy)oxirane

2-(2-methylprop-1-enoxy)oxirane (PubChem CID 174917299) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-(2-methylprop-1-enoxy)oxirane.

Molecular Properties

Compound Name2-(2-methylprop-1-enoxy)oxirane
PubChem CID174917299
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-(2-methylprop-1-enoxy)oxirane
SMILESCC(C)=COC1CO1
InChIInChI=1S/C6H10O2/c1-5(2)3-7-6-4-8-6/h3,6H,4H2,1-2H3
InChIKeyLJKJIQZXUQIJBK-UHFFFAOYSA-N
XLogP1.28
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.28
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enoxy)oxirane?
The IUPAC name of 2-(2-methylprop-1-enoxy)oxirane (CID 174917299) is 2-(2-methylprop-1-enoxy)oxirane.
What is the SMILES notation for 2-(2-methylprop-1-enoxy)oxirane?
The canonical SMILES for 2-(2-methylprop-1-enoxy)oxirane is CC(C)=COC1CO1.
What is the InChIKey of 2-(2-methylprop-1-enoxy)oxirane?
The InChIKey is LJKJIQZXUQIJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-5(2)3-7-6-4-8-6/h3,6H,4H2,1-2H3.
What are the key properties of 2-(2-methylprop-1-enoxy)oxirane?
2-(2-methylprop-1-enoxy)oxirane has a molecular weight of 114.14 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enoxy)oxirane is sourced from PubChem (CID 174917299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).