2,4-Dimethyloxetane

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CAS Number

14988-66-0

MDL Number

MFCD21337922

Purity

=95%

Smiles

CC1CC(C)O1

Chemical Information

2,4-Dimethyloxetane

CAS Number	14988-66-0
PubChem CID	535623
IUPAC Name	2,4-dimethyloxetane
Molecular Formula	C5H10O
Molecular Weight	86.13
XLogP	1.1
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	45

SMILES

CC1CC(O1)C

InChI

InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3

InChIKey

KPPWZEMUMPFHEX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14988-66-0

CID: 535623

Formula: C5H10O

MW: 86.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	86.13
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	86.073164938
Monoisotopic Mass	86.073164938
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	45.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
JH137358	4- (Bromomethyl) -2,2-dimethyloxetane
AR-B08081-01	2,2-Dimethyloxetane
TLD74021-01	2,2-Dimethyloxetane-3-carboxylicacid
sc-256569	3,3-Dimethyloxetane
VAA96749-01	3,3-Dimethyloxetane-2-carboxylic acid
DXC57163-01	N-Methoxy-N,3-dimethyloxetane-3-carboxamide
419555-01	2,2′,4,4′-Tetrahydroxybenzophenone
290091-01	2,2',4,4'-Tetranitrodiphenylmethane
290090-01	2,2',4,4'-Tetranitrobenzophenone
AR-O01033-01	2,2,4,4-Tetramethyloctane