4-Ethyl-1,3-Dioxolan-2-One

CAT: 0127-OR1026773-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1026773-01Size:5 g

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CAS Number

4437-85-8

Synonyms

4-ethyl-1,3-dioxolan-2-one

Purity

98%

Smiles

CCC1COC(=O)O1

Chemical Information

Butylene carbonate

structure in first source

CAS Number	4437-85-8
PubChem CID	107282
IUPAC Name	4-ethyl-1,3-dioxolan-2-one
Molecular Formula	C5H8O3
Molecular Weight	116.11
XLogP	0.1
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	99

SMILES

CCC1COC(=O)O1

InChI

InChI=1S/C5H8O3/c1-2-4-3-7-5(6)8-4/h4H,2-3H2,1H3

InChIKey

ZZXUZKXVROWEIF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4437-85-8

CID: 107282

Formula: C5H8O3

MW: 116.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.11
XLogP3	0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	116.047344113
Monoisotopic Mass	116.047344113
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	99.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR13474	4-Ethyl-4-methyl-5-methylene-1,3-dioxolan-2-one
OR1011659-01	4-Phenyl-1,3-Dioxolan-2-One
OR1011180-01	4- (Hydroxymethyl) -1,3-dioxolan-2-one
OR76939-01	4-Propyl-1,3-dioxolan-2-one
OR16071-01	4-Chloro-1,3-dioxolan-2-one
OR1005122	4- (Chloromethyl) -1,3-dioxolan-2-one
PC6702-01	4-Fluoro-1,3-dioxolan-2-one
PC450562	4- (Fluoromethyl) -1,3-dioxolan-2-one
PC53262	4- (Difluoromethyl) -1,3-dioxolan-2-one
OR914384-01	4-Vinyl-1,3-dioxolan-2-one

Catalog	Name
269295-01	4-Chloro-1,3-dioxolan-2-one
291967-01	4-Vinyl-1,3-dioxolan-2-one
sc-232281C	4- (Hydroxymethyl) -1,3-dioxolan-2-one
114435-02-8-01	4-Fluoro-1,3-dioxolan-2-one
FC145402-01	4- (Chloromethyl) -1,3-dioxolan-2-one
EAA42792-01	4-Phenyl-1,3-dioxolan-2-one
2463-45-8	1,3-Dioxolan-2-one, 4- (chloromethyl) -
JBD31321-01	1-[2- (1,3-Dioxolan-2-yl) ethyl]-4-methylpiperazine
TRC-D471790-2.5G	4,4-Dimethyl-1,3-dioxolan-2-one
RG-D241200-01	1,3-Dioxolan-2-One