3,4-ditert-butyl-2H-oxete

C11H20O — CID 176758268

IUPAC3,4-ditert-butyl-2H-oxete
SMILESCC(C)(C)C1=C(C(C)(C)C)OC1
InChIInChI=1S/C11H20O/c1-10(2,3)8-7-12-9(8)11(4,5)6/h7H2,1-6H3
InChIKeyQREUNOCWAOGTSY-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.36
Rot. Bonds

About 3,4-ditert-butyl-2H-oxete

3,4-ditert-butyl-2H-oxete (PubChem CID 176758268) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3,4-ditert-butyl-2H-oxete.

Molecular Properties

Compound Name3,4-ditert-butyl-2H-oxete
PubChem CID176758268
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3,4-ditert-butyl-2H-oxete
SMILESCC(C)(C)C1=C(C(C)(C)C)OC1
InChIInChI=1S/C11H20O/c1-10(2,3)8-7-12-9(8)11(4,5)6/h7H2,1-6H3
InChIKeyQREUNOCWAOGTSY-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-ditert-butyl-2,3-dihydro-1,4-dioxine;3,4-ditert-butyl-2,5-dihydrofuran;3,4-ditert-butyl-2,5-dihydro-1H-pyrrole;3,4-ditert-butyl-1-methyl-2,5-dihydropyrrole
CID 158769713
1,2,3,4-tetratert-butylcyclopenta-1,3-diene
CID 19880755
4,5-ditert-butyl-3,6-dihydro-2H-1,3-oxazine
CID 169298192
4,6-ditert-butyl-1,2,3,5-tetrahydropentalene;ethane;tungsten
CID 158615083
4,6-ditert-butyl-3,5-dihydro-1H-furo[3,4-c]pyrrole
CID 130396675
6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-pyran
CID 130193916
3,4-ditert-butyl-2,5-dihydrothiophene 1-oxide
CID 58778251
3-tert-butyl-6-methyl-2H-pyran
CID 565288
4,5-ditert-butyl-2,3-dihydrothiophene 1,1-dioxide
CID 169298240
6,7-ditert-butyl-4-methyl-2,3-dihydro-1,4-oxazepin-5-one
CID 23592127
4,5-ditert-butyl-2-methyl-2,3-dihydrofuran;3,4-dimethanidylidene-2,2,5,5-tetramethylhexane;methane;yttrium
CID 158419934
3,4-ditert-butylbicyclo[4.2.1]non-3-ene
CID 170545999

Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-2H-oxete?
The IUPAC name of 3,4-ditert-butyl-2H-oxete (CID 176758268) is 3,4-ditert-butyl-2H-oxete.
What is the SMILES notation for 3,4-ditert-butyl-2H-oxete?
The canonical SMILES for 3,4-ditert-butyl-2H-oxete is CC(C)(C)C1=C(C(C)(C)C)OC1.
What is the InChIKey of 3,4-ditert-butyl-2H-oxete?
The InChIKey is QREUNOCWAOGTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2,3)8-7-12-9(8)11(4,5)6/h7H2,1-6H3.
What are the key properties of 3,4-ditert-butyl-2H-oxete?
3,4-ditert-butyl-2H-oxete has a molecular weight of 168.28 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-2H-oxete is sourced from PubChem (CID 176758268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).