3-ethyl-2,2-dimethyloxirane

C6H12O — CID 14499

IUPAC3-ethyl-2,2-dimethyloxirane
SMILESCCC1OC1(C)C
InChIInChI=1S/C6H12O/c1-4-5-6(2,3)7-5/h5H,4H2,1-3H3
InChIKeyOZVWXRGXOYUQEJ-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.57
Rot. Bonds1

About 3-ethyl-2,2-dimethyloxirane

3-ethyl-2,2-dimethyloxirane (PubChem CID 14499) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 3-ethyl-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-ethyl-2,2-dimethyloxirane
PubChem CID14499
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name3-ethyl-2,2-dimethyloxirane
SMILESCCC1OC1(C)C
InChIInChI=1S/C6H12O/c1-4-5-6(2,3)7-5/h5H,4H2,1-3H3
InChIKeyOZVWXRGXOYUQEJ-UHFFFAOYSA-N
XLogP1.57
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.57
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

Trimethyloxirane
CID 21158
Isobutyloxirane
CID 90990
2,2-Diethyloxirane
CID 295971
2,2-Dimethyl-3-propyloxirane
CID 28639
Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl-
CID 92734
Oxirane, 2-methyl-2-propyl-
CID 520806
Oxirane, 2-methyl-3-(1-methylethyl)-
CID 527855
2-Ethyl-2,3-dimethyloxirane
CID 12936856
2-tert-Butyl-3-methyloxirane
CID 543881
2,2,3-Triethyloxirane
CID 551289
(2R)-2-(2-methylpropyl)oxirane
CID 12301059
Oxetane, 2,2,4-trimethyl-
CID 537445

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2-dimethyloxirane?
The IUPAC name of 3-ethyl-2,2-dimethyloxirane (CID 14499) is 3-ethyl-2,2-dimethyloxirane.
What is the SMILES notation for 3-ethyl-2,2-dimethyloxirane?
The canonical SMILES for 3-ethyl-2,2-dimethyloxirane is CCC1OC1(C)C.
What is the InChIKey of 3-ethyl-2,2-dimethyloxirane?
The InChIKey is OZVWXRGXOYUQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-4-5-6(2,3)7-5/h5H,4H2,1-3H3.
What are the key properties of 3-ethyl-2,2-dimethyloxirane?
3-ethyl-2,2-dimethyloxirane has a molecular weight of 100.16 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2-dimethyloxirane is sourced from PubChem (CID 14499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).