2-(2-methoxy-2-methylbutyl)oxirane

C8H16O2 — CID 88854677

IUPAC2-(2-methoxy-2-methylbutyl)oxirane
SMILESCCC(C)(CC1CO1)OC
InChIInChI=1S/C8H16O2/c1-4-8(2,9-3)5-7-6-10-7/h7H,4-6H2,1-3H3
InChIKeyAOWRNYIQWJOCLC-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds4

About 2-(2-methoxy-2-methylbutyl)oxirane

2-(2-methoxy-2-methylbutyl)oxirane (PubChem CID 88854677) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-(2-methoxy-2-methylbutyl)oxirane.

Molecular Properties

Compound Name2-(2-methoxy-2-methylbutyl)oxirane
PubChem CID88854677
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-(2-methoxy-2-methylbutyl)oxirane
SMILESCCC(C)(CC1CO1)OC
InChIInChI=1S/C8H16O2/c1-4-8(2,9-3)5-7-6-10-7/h7H,4-6H2,1-3H3
InChIKeyAOWRNYIQWJOCLC-UHFFFAOYSA-N
XLogP1.59
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-2-methylbutyl)oxirane?
The IUPAC name of 2-(2-methoxy-2-methylbutyl)oxirane (CID 88854677) is 2-(2-methoxy-2-methylbutyl)oxirane.
What is the SMILES notation for 2-(2-methoxy-2-methylbutyl)oxirane?
The canonical SMILES for 2-(2-methoxy-2-methylbutyl)oxirane is CCC(C)(CC1CO1)OC.
What is the InChIKey of 2-(2-methoxy-2-methylbutyl)oxirane?
The InChIKey is AOWRNYIQWJOCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-8(2,9-3)5-7-6-10-7/h7H,4-6H2,1-3H3.
What are the key properties of 2-(2-methoxy-2-methylbutyl)oxirane?
2-(2-methoxy-2-methylbutyl)oxirane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-2-methylbutyl)oxirane is sourced from PubChem (CID 88854677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).