2-[(2-methylpropan-2-yl)oxymethyl]oxirane

C7H14O2 — CID 24314

IUPAC2-[(2-methylpropan-2-yl)oxymethyl]oxirane
SMILESCC(C)(C)OCC1CO1
InChIInChI=1S/C7H14O2/c1-7(2,3)9-5-6-4-8-6/h6H,4-5H2,1-3H3
InChIKeySFJRUJUEMVAZLM-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.20
Rot. Bonds2

About 2-[(2-methylpropan-2-yl)oxymethyl]oxirane

2-[(2-methylpropan-2-yl)oxymethyl]oxirane (PubChem CID 24314) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxymethyl]oxirane.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxymethyl]oxirane
PubChem CID24314
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-[(2-methylpropan-2-yl)oxymethyl]oxirane
SMILESCC(C)(C)OCC1CO1
InChIInChI=1S/C7H14O2/c1-7(2,3)9-5-6-4-8-6/h6H,4-5H2,1-3H3
InChIKeySFJRUJUEMVAZLM-UHFFFAOYSA-N
XLogP1.20
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-methylpropan-2-yl)oxymethyl]oxirane?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]oxirane (CID 24314) is 2-[(2-methylpropan-2-yl)oxymethyl]oxirane.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxymethyl]oxirane?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxymethyl]oxirane is CC(C)(C)OCC1CO1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxymethyl]oxirane?
The InChIKey is SFJRUJUEMVAZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(2,3)9-5-6-4-8-6/h6H,4-5H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxymethyl]oxirane?
2-[(2-methylpropan-2-yl)oxymethyl]oxirane has a molecular weight of 130.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxymethyl]oxirane is sourced from PubChem (CID 24314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).