2-[1-(2-methylprop-1-enoxy)ethyl]oxirane

C8H14O2 — CID 176604373

IUPAC2-[1-(2-methylprop-1-enoxy)ethyl]oxirane
SMILESCC(C)=COC(C)C1CO1
InChIInChI=1S/C8H14O2/c1-6(2)4-9-7(3)8-5-10-8/h4,7-8H,5H2,1-3H3
InChIKeyXGFWTQZITRWURQ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.71
Rot. Bonds3

About 2-[1-(2-methylprop-1-enoxy)ethyl]oxirane

2-[1-(2-methylprop-1-enoxy)ethyl]oxirane (PubChem CID 176604373) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-[1-(2-methylprop-1-enoxy)ethyl]oxirane.

Molecular Properties

Compound Name2-[1-(2-methylprop-1-enoxy)ethyl]oxirane
PubChem CID176604373
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-[1-(2-methylprop-1-enoxy)ethyl]oxirane
SMILESCC(C)=COC(C)C1CO1
InChIInChI=1S/C8H14O2/c1-6(2)4-9-7(3)8-5-10-8/h4,7-8H,5H2,1-3H3
InChIKeyXGFWTQZITRWURQ-UHFFFAOYSA-N
XLogP1.71
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.71
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-(2-Methylprop-1-enoxymethyl)oxirane
CID 23043125
2-Methyl-1-[2-(2-methylprop-1-enoxy)propoxy]prop-1-ene
CID 87658950
1,3-Bis(2-methylprop-1-enoxy)butane
CID 87658980
1-[2,3-Bis(2-methylprop-1-enoxy)propoxy]-2-methylprop-1-ene
CID 87659581
2-Methyl-3-(prop-1-en-2-yloxymethyl)oxirane
CID 140101341
3-(2-Methylprop-1-enoxy)oxolane
CID 176603502
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxirane
CID 176603818
2-Methyl-2-(2-methylprop-1-enoxymethyl)oxirane
CID 176604213
2-[2-(2-Methylprop-1-enoxy)ethyl]oxirane
CID 176604308
2-[1-[(E)-prop-1-enoxy]ethyl]oxirane
CID 176604712

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylprop-1-enoxy)ethyl]oxirane?
The IUPAC name of 2-[1-(2-methylprop-1-enoxy)ethyl]oxirane (CID 176604373) is 2-[1-(2-methylprop-1-enoxy)ethyl]oxirane.
What is the SMILES notation for 2-[1-(2-methylprop-1-enoxy)ethyl]oxirane?
The canonical SMILES for 2-[1-(2-methylprop-1-enoxy)ethyl]oxirane is CC(C)=COC(C)C1CO1.
What is the InChIKey of 2-[1-(2-methylprop-1-enoxy)ethyl]oxirane?
The InChIKey is XGFWTQZITRWURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2)4-9-7(3)8-5-10-8/h4,7-8H,5H2,1-3H3.
What are the key properties of 2-[1-(2-methylprop-1-enoxy)ethyl]oxirane?
2-[1-(2-methylprop-1-enoxy)ethyl]oxirane has a molecular weight of 142.20 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylprop-1-enoxy)ethyl]oxirane is sourced from PubChem (CID 176604373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).