3- (Allyloxy) oxetane

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CAS Number

6777-00-0

Synonyms

3-prop-2-Enoxyoxetane

MDL Number

MFCD09908098

Purity

=95%

Smiles

C=CCOC1COC1

Storage Conditions

Store at 2-8°C

Chemical Information

3-(Allyloxy)oxetane

CAS Number	6777-00-0
PubChem CID	81241
IUPAC Name	3-prop-2-enoxyoxetane
Molecular Formula	C6H10O2
Molecular Weight	114.14
XLogP	0.4
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	76

SMILES

C=CCOC1COC1

InChI

InChI=1S/C6H10O2/c1-2-3-8-6-4-7-5-6/h2,6H,1,3-5H2

InChIKey

NONFBYUIHZQHQT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6777-00-0

CID: 81241

Formula: C6H10O2

MW: 114.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.14
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	114.068079557
Monoisotopic Mass	114.068079557
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	76.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes