2-(2-methoxy-2-methylpropyl)oxirane

C7H14O2 — CID 18626422

IUPAC2-(2-methoxy-2-methylpropyl)oxirane
SMILESCOC(C)(C)CC1CO1
InChIInChI=1S/C7H14O2/c1-7(2,8-3)4-6-5-9-6/h6H,4-5H2,1-3H3
InChIKeyGZBLVNKHWYOLNJ-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.20
Rot. Bonds3

About 2-(2-methoxy-2-methylpropyl)oxirane

2-(2-methoxy-2-methylpropyl)oxirane (PubChem CID 18626422) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-(2-methoxy-2-methylpropyl)oxirane.

Molecular Properties

Compound Name2-(2-methoxy-2-methylpropyl)oxirane
PubChem CID18626422
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-(2-methoxy-2-methylpropyl)oxirane
SMILESCOC(C)(C)CC1CO1
InChIInChI=1S/C7H14O2/c1-7(2,8-3)4-6-5-9-6/h6H,4-5H2,1-3H3
InChIKeyGZBLVNKHWYOLNJ-UHFFFAOYSA-N
XLogP1.20
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.20
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-methylpropyl)oxirane?
The IUPAC name of 2-(2-methoxy-2-methylpropyl)oxirane (CID 18626422) is 2-(2-methoxy-2-methylpropyl)oxirane.
What is the SMILES notation for 2-(2-methoxy-2-methylpropyl)oxirane?
The canonical SMILES for 2-(2-methoxy-2-methylpropyl)oxirane is COC(C)(C)CC1CO1.
What is the InChIKey of 2-(2-methoxy-2-methylpropyl)oxirane?
The InChIKey is GZBLVNKHWYOLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(2,8-3)4-6-5-9-6/h6H,4-5H2,1-3H3.
What are the key properties of 2-(2-methoxy-2-methylpropyl)oxirane?
2-(2-methoxy-2-methylpropyl)oxirane has a molecular weight of 130.19 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-2-methylpropyl)oxirane is sourced from PubChem (CID 18626422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).