2-tert-butyl-2-ethyl-4,4-dimethyloxetane

C11H22O — CID 146352936

IUPAC2-tert-butyl-2-ethyl-4,4-dimethyloxetane
SMILESCCC1(C(C)(C)C)CC(C)(C)O1
InChIInChI=1S/C11H22O/c1-7-11(9(2,3)4)8-10(5,6)12-11/h7-8H2,1-6H3
InChIKeyOWBARKKCHRZSIS-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds1

About 2-tert-butyl-2-ethyl-4,4-dimethyloxetane

2-tert-butyl-2-ethyl-4,4-dimethyloxetane (PubChem CID 146352936) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-tert-butyl-2-ethyl-4,4-dimethyloxetane.

Molecular Properties

Compound Name2-tert-butyl-2-ethyl-4,4-dimethyloxetane
PubChem CID146352936
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-tert-butyl-2-ethyl-4,4-dimethyloxetane
SMILESCCC1(C(C)(C)C)CC(C)(C)O1
InChIInChI=1S/C11H22O/c1-7-11(9(2,3)4)8-10(5,6)12-11/h7-8H2,1-6H3
InChIKeyOWBARKKCHRZSIS-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-2-ethyloxetane
CID 89426434
2-tert-butyl-2-ethyl-5-methyloxolane
CID 69054578
2,2-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
CID 105053115
2-methoxy-3,3-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
CID 114623534
(2R,5S)-2-ethyl-2,3,3,5-tetramethyloxolane
CID 89295957
4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine
CID 114624231
2-ethyl-2-(trifluoromethyl)oxirane
CID 23233498
3-tert-butyl-1-ethyl-1,2,2-trimethylcyclopropane
CID 123195790
3-hexyl-2,2,5,5-tetramethyloxolan-3-ol
CID 79928233
4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol
CID 114621893
1-tert-butyl-1-ethylcyclopropane
CID 58798513
(1S,5R,6S,7R)-1,5-dimethyl-3-(2-methylbutan-2-yl)-8-oxabicyclo[3.2.1]octane-3,6,7-triol
CID 71021322

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-ethyl-4,4-dimethyloxetane?
The IUPAC name of 2-tert-butyl-2-ethyl-4,4-dimethyloxetane (CID 146352936) is 2-tert-butyl-2-ethyl-4,4-dimethyloxetane.
What is the SMILES notation for 2-tert-butyl-2-ethyl-4,4-dimethyloxetane?
The canonical SMILES for 2-tert-butyl-2-ethyl-4,4-dimethyloxetane is CCC1(C(C)(C)C)CC(C)(C)O1.
What is the InChIKey of 2-tert-butyl-2-ethyl-4,4-dimethyloxetane?
The InChIKey is OWBARKKCHRZSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-7-11(9(2,3)4)8-10(5,6)12-11/h7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-2-ethyl-4,4-dimethyloxetane?
2-tert-butyl-2-ethyl-4,4-dimethyloxetane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-ethyl-4,4-dimethyloxetane is sourced from PubChem (CID 146352936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).