2,2,3-trimethyloxirane

C5H10O — CID 21158

IUPAC2,2,3-trimethyloxirane
SMILESCC1OC1(C)C
InChIInChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3
InChIKeyQPBYBLZYMNWGMO-UHFFFAOYSA-N
MW86.13 g/mol
LogP1.18
Rot. Bonds

About 2,2,3-trimethyloxirane

2,2,3-trimethyloxirane (PubChem CID 21158) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is 2,2,3-trimethyloxirane.

Molecular Properties

Compound Name2,2,3-trimethyloxirane
PubChem CID21158
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name2,2,3-trimethyloxirane
SMILESCC1OC1(C)C
InChIInChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3
InChIKeyQPBYBLZYMNWGMO-UHFFFAOYSA-N
XLogP1.18
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.18
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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Related Compounds

Isobutylene oxide
CID 11208
2-Butylene oxide
CID 18632
trans-2,3-Dimethyloxirane
CID 30664
cis-2,3-Epoxybutane
CID 92162
2-Ethyl-2-methyloxirane
CID 121763
3-Ethyl-2,2-dimethyloxirane
CID 14499
trans-2R,3R-epoxybutane
CID 6432237
2-Ethyl-2,3-dimethyloxirane
CID 12936856
3-Ethynyl-2,2-dimethyloxirane
CID 12377442
Cyclopropyl t-butyl ether
CID 21675633
(2S)-2,3-dimethyloxirane
CID 23617967
(3R)-2,2,3-trimethyloxirane
CID 6999849

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyloxirane?
The IUPAC name of 2,2,3-trimethyloxirane (CID 21158) is 2,2,3-trimethyloxirane.
What is the SMILES notation for 2,2,3-trimethyloxirane?
The canonical SMILES for 2,2,3-trimethyloxirane is CC1OC1(C)C.
What is the InChIKey of 2,2,3-trimethyloxirane?
The InChIKey is QPBYBLZYMNWGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3.
What are the key properties of 2,2,3-trimethyloxirane?
2,2,3-trimethyloxirane has a molecular weight of 86.13 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyloxirane is sourced from PubChem (CID 21158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).