1-Ethoxy-1,3,3-Trimethoxypropane

CAT: 1596-AR-A05321-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A05321-01Size:10 Units

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CAS Number

123-59-1

Molecular Formula

C8H18O4

Molecular Weight

178.23

API Name

Acetal

Chemical Information

1-Ethoxy-1,3,3-trimethoxypropane

CAS Number	123-59-1
PubChem CID	101593
IUPAC Name	1-ethoxy-1,3,3-trimethoxypropane
Molecular Formula	C8H18O4
Molecular Weight	178.23
XLogP	0.7
Topological Polar Surface Area	36.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	12
Formal Charge	0
Complexity	93

SMILES

CCOC(CC(OC)OC)OC

InChI

InChI=1S/C8H18O4/c1-5-12-8(11-4)6-7(9-2)10-3/h7-8H,5-6H2,1-4H3

InChIKey

GHZXJUYUMMBNHP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 123-59-1

CID: 101593

Formula: C8H18O4

MW: 178.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.23
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	178.12050905
Monoisotopic Mass	178.12050905
Topological Polar Surface Area	36.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	93.1
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

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