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3,3-Dimethyloxetane

CAT: 0127-OR309099Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
6921-35-3
MDL Number
MFCD00005168
Purity
=95%
Smiles
CC1(C)COC1

Chemical Information

3,3-Dimethyloxetane
CAS Number6921-35-3
PubChem CID23352
IUPAC Name3,3-dimethyloxetane
Molecular FormulaC5H10O
Molecular Weight86.13
XLogP1
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity51
SMILES
CC1(COC1)C
InChI
InChI=1S/C5H10O/c1-5(2)3-6-4-5/h3-4H2,1-2H3
InChIKey
RVGLUKRYMXEQAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3-Dimethyloxetane
CAS: 6921-35-3
CID: 23352
Formula: C5H10O
MW: 86.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight86.13
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass86.073164938
Monoisotopic Mass86.073164938
Topological Polar Surface Area9.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity51
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes