3,3-Diethoxy-1-propanol

CAT: 0024-sc-226191Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-226191Size:1 g

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CAS Number

16777-87-0

Chemical Information

3,3-Diethoxy-1-propanol

CAS Number	16777-87-0
PubChem CID	140135
IUPAC Name	3,3-diethoxypropan-1-ol
Molecular Formula	C7H16O3
Molecular Weight	148.20
XLogP	0.5
Topological Polar Surface Area	38.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	10
Formal Charge	0
Complexity	59

SMILES

CCOC(CCO)OCC

InChI

InChI=1S/C7H16O3/c1-3-9-7(5-6-8)10-4-2/h7-8H,3-6H2,1-2H3

InChIKey

ASERXEZXVIJBRO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16777-87-0

CID: 140135

Formula: C7H16O3

MW: 148.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.20
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	148.109944368
Monoisotopic Mass	148.109944368
Topological Polar Surface Area	38.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	59.9
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-273587	1,3-Diethoxy-2-propanol
sc-231936	3,3-Diethoxy-1-propyne
sc-231936A	3,3-Diethoxy-1-propyne
sc-222964	1,3-Diethoxy-1,1,3,3-tetramethyldisiloxane
sc-272971	1- (3,4-Diethoxy-benzyl) -6,7-diethoxy-1,2,3,4-tetrahydro-isoquinoline
sc-254520	3,3-Diphenyl-1-propanol
sc-254520A	3,3-Diphenyl-1-propanol
sc-302193	1- (3,4-Diethoxy-phenyl) -ethylamine
sc-507262	3- (Trimethylsilyl) -1-propanol
sc-483197	3-Methylamino-1-propanol

Catalog	Name
TRC-D442995-1G	3,3-Diethoxy-1-propanol
EAA04359	1,3-Diethoxy-2-propanol
411058-01	1,3-Diethoxy-2-propanol-d5
D19463-01	1 3-Diethoxy-2-Propanol 97%
TRC-D442145-500MG	1,1-Diethoxy-2-methyl-2-propanol
RG-A261561-01	1,3-Diethoxy-1,1,3,3-Tetramethyldisiloxane
PC107224	3,3-Diethoxy-1,1,1-trifluoropropane
OR1042910-01	1,1-Diethoxy-3-methylbutane
FD159469	3,3-Diethoxy-1,2-propanediol
OR1086137-01	1-Bromo-3,3-diethoxy-1-propyne