2,2-Dimethoxyethyl Isocyanide

CAT: 0024-sc-498442Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-498442Size:100 mg

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CAS Number

277300-82-0

Chemical Information

2,2-Dimethoxyethyl isocyanide

CAS Number	277300-82-0
PubChem CID	4040496
IUPAC Name	2-isocyano-1,1-dimethoxyethane
Molecular Formula	C5H9NO2
Molecular Weight	115.13
XLogP	-0.2
Topological Polar Surface Area	22.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	89

SMILES

COC(C[N+]#[C-])OC

InChI

InChI=1S/C5H9NO2/c1-6-4-5(7-2)8-3/h5H,4H2,2-3H3

InChIKey

MEGSDTQNBQUWJR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 277300-82-0

CID: 4040496

Formula: C5H9NO2

MW: 115.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	115.13
XLogP3	-0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	115.063328530
Monoisotopic Mass	115.063328530
Topological Polar Surface Area	22.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	89.8
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

Catalog	Name
sc-230619A	2-Pentyl isocyanide
sc-225505	2-Naphthyl isocyanide
sc-230619	2-Pentyl isocyanide
sc-251788	2-Morpholinoethyl isocyanide
sc-353064	Benzyl (2,2-dimethoxyethyl) amine
sc-353064A	Benzyl (2,2-dimethoxyethyl) amine
sc-498707	N- (2,2-Dimethoxyethyl) ammeline
sc-254382	2,6-Dimethylphenyl isocyanide
sc-311453A	N- (2,2-Dimethoxyethyl) -4-methylbenzenesulfonamide
sc-311453	N- (2,2-Dimethoxyethyl) -4-methylbenzenesulfonamide

Catalog	Name
OR903045	2,2-Dimethoxyethyl isocyanide
IHA20925-01	2-Iodophenyl isocyanide
OR902741	2,4-Dichlorophenyl isocyanide
PC900698	2,4-Difluorophenyl isocyanide
291518-01	A-Tosyl- (2-bromobenzyl) isocyanide
OR903290-01	2,6-Dimethylphenyl isocyanide
OR902397	2,6-Dichlorophenyl isocyanide
OR903429	2-sec-Butylphenyl isocyanide
OR905400	2-Methyl-4-nitrophenyl isocyanide
OR903426	2-Methyl-5-nitrophenyl isocyanide