Diethyl suberate

CAT: 0926-FD54925-02Size: 250 gDry Ice: NoHazardous: No

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CAT#:0926-FD54925-02Size:250 g

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CAS Number

2050-23-9

Synonyms

Suberic acid diethyl ester; Octanedioic acid diethyl ester

MDL Number

MFCD00009217

Smiles

CCOC (=O) CCCCCCC (=O) OCC

Molecular Formula

C12H22O4

Molecular Weight

230.3 g/mol

Controlled

Chemical Information

Diethyl suberate

CAS Number	2050-23-9
PubChem CID	16301
IUPAC Name	diethyl octanedioate
Molecular Formula	C12H22O4
Molecular Weight	230.30
XLogP	2.4
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Heavy Atom Count	16
Formal Charge	0
Complexity	179

SMILES

CCOC(=O)CCCCCCC(=O)OCC

InChI

InChI=1S/C12H22O4/c1-3-15-11(13)9-7-5-6-8-10-12(14)16-4-2/h3-10H2,1-2H3

InChIKey

PEUGOJXLBSIJQS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2050-23-9

CID: 16301

Formula: C12H22O4

MW: 230.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.30
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Exact Mass	230.15180918
Monoisotopic Mass	230.15180918
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	179
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
FD52745-01	Disuccinimidyl suberate
FM56847-01	Mono (lactosylamido) mono (succinimidyl) suberate
QAA30097-01	Diethyl acetoxyethylphosphonate
FD61056-01	Diethyl Chlorothiophosphate
FD21801-01	Diethyl phthalate
FD21796-01	Diethyl ethoxymethylidenemalonate
FD12154-01	Diethyl malonate
FD03598-01	Diethyl oxalate
DAA19524	Diethyl Diallylmalonate
JBA00961-01	Diethyl methylphenylmalonate

Catalog	Name
446871-01	Diethyl Suberate
D24740-01	Diethyl suberate 99%
237348-01	Diethyl suberate 99+% (GC)
sc-227896	Dimethyl suberate
TRC-M542590-5G	Monomethyl Suberate
274076-01	Disuccinimidyl suberate
TRC-D674580-1G	Dibutyl Suberate
21820006-1	Disuccinimidyl Suberate (DSS)
HY-W019543-01	Disuccinimidyl suberate Crosslinker
D9480-01	Disuccinimidyl Suberate, 97%