2,2,3-tritert-butyloxirane

C14H28O — CID 15313217

IUPAC2,2,3-tritert-butyloxirane
SMILESCC(C)(C)C1OC1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28O/c1-11(2,3)10-14(15-10,12(4,5)6)13(7,8)9/h10H,1-9H3
InChIKeyYIFYGXKYBFDHOW-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.26
Rot. Bonds

About 2,2,3-tritert-butyloxirane

2,2,3-tritert-butyloxirane (PubChem CID 15313217) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 2,2,3-tritert-butyloxirane.

Molecular Properties

Compound Name2,2,3-tritert-butyloxirane
PubChem CID15313217
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name2,2,3-tritert-butyloxirane
SMILESCC(C)(C)C1OC1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28O/c1-11(2,3)10-14(15-10,12(4,5)6)13(7,8)9/h10H,1-9H3
InChIKeyYIFYGXKYBFDHOW-UHFFFAOYSA-N
XLogP4.26
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2,3-tritert-butyloxirane?
The IUPAC name of 2,2,3-tritert-butyloxirane (CID 15313217) is 2,2,3-tritert-butyloxirane.
What is the SMILES notation for 2,2,3-tritert-butyloxirane?
The canonical SMILES for 2,2,3-tritert-butyloxirane is CC(C)(C)C1OC1(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2,3-tritert-butyloxirane?
The InChIKey is YIFYGXKYBFDHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-11(2,3)10-14(15-10,12(4,5)6)13(7,8)9/h10H,1-9H3.
What are the key properties of 2,2,3-tritert-butyloxirane?
2,2,3-tritert-butyloxirane has a molecular weight of 212.38 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-tritert-butyloxirane is sourced from PubChem (CID 15313217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).