Dimethyl Octanedioate

CAT: 1596-AR-M03029-02Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M03029-02Size:100 Units

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CAS Number

1732-09-8

Chemical Information

Dimethyl suberate

Dimethyl suberate is a fatty acid methyl ester.

CAS Number	1732-09-8
PubChem CID	15611
IUPAC Name	dimethyl octanedioate
Molecular Formula	C10H18O4
Molecular Weight	202.25
XLogP	1.9
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	14
Formal Charge	0
Complexity	157

SMILES

COC(=O)CCCCCCC(=O)OC

InChI

InChI=1S/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3

InChIKey

LNLCRJXCNQABMV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1732-09-8

CID: 15611

Formula: C10H18O4

MW: 202.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.25
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	202.12050905
Monoisotopic Mass	202.12050905
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	157
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

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Catalog	Name
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