3,3-Diethoxy-1-propyne

CAT: 0024-sc-231936ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-231936ASize:5 g

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CAS Number

10160-87-9

Chemical Information

3,3-Diethoxypropyne

CAS Number	10160-87-9
PubChem CID	66285
IUPAC Name	3,3-diethoxyprop-1-yne
Molecular Formula	C7H12O2
Molecular Weight	128.17
XLogP	0.9
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	94

SMILES

CCOC(C#C)OCC

InChI

InChI=1S/C7H12O2/c1-4-7(8-5-2)9-6-3/h1,7H,5-6H2,2-3H3

InChIKey

RGUXEWWHSQGVRZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 10160-87-9

CID: 66285

Formula: C7H12O2

MW: 128.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.17
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	128.083729621
Monoisotopic Mass	128.083729621
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.7
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-226191	3,3-Diethoxy-1-propanol
sc-238535	3-Dimethylamino-1-propyne
sc-223555	3-Phenyl-1-propyne
sc-223555A	3-Phenyl-1-propyne
sc-226056	3-Cyclopentyl-1-propyne
sc-226055	3-Cyclohexyl-1-propyne
sc-231932	3-Trimethylsiloxy-1-propyne
sc-276209	3-Dibutylamino-1-propyne
sc-222964	1,3-Diethoxy-1,1,3,3-tetramethyldisiloxane
sc-273587	1,3-Diethoxy-2-propanol

Catalog	Name
OR1086137-01	1-Bromo-3,3-diethoxy-1-propyne
FP159244	3-Phenyl-1-propyne
425403-01	3-Dimethylamino-1-propyne
OR1024519-01	3-Dibutylamino-1-Propyne
OR52646-01	3-Diethylamino-1-propyne
C31920-01	3-Cyclohexyl-1-propyne
D53010	3-Dipropylamino-1-propyne
C32960-01	3-Cyclopentyl-1-propyne
TRC-D442995-250MG	3,3-Diethoxy-1-propanol
FT164761-01	1-Tributylstannyl-3,3,3-trifluoro-1-propyne