1,8-Diacetoxyoctane

CAT: 0127-OR1077939Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1077939Size:25 g

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CAS Number

3992-48-1

Synonyms

Octamethylene Diacetate / 1,8-Octanediol Diacetate

MDL Number

MFCD01861294

Purity

≥95%

Smiles

CC (=O) OCCCCCCCCOC (=O) C

Chemical Information

1,8-Diacetoxyoctane

CAS Number	3992-48-1
PubChem CID	5216131
IUPAC Name	8-acetyloxyoctyl acetate
Molecular Formula	C12H22O4
Molecular Weight	230.30
XLogP	2.5
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

CC(=O)OCCCCCCCCOC(=O)C

InChI

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

InChIKey

MDHIGESKEUQAEO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3992-48-1

CID: 5216131

Formula: C12H22O4

MW: 230.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.30
XLogP3	2.5
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
OR1002041-01	1,8-Dimethyl-1,4,8,11-tetraazacyclotetradecane
BUP22983-01	αVβ8-IN-1
BUP00749-01	TLR7/8-IN-1
OR80387-01	1,8-Diiodooctane
OR1009297-01	1,8-Phenylacidsodiumsalt
OR80670-01	1,8-Naphthalimide
OR94903-01	1,8-Dibromopyrene
OR10106-01	1,8-Diaminooctane
BUP22958-01	1,8-Dimethylnaphthalene
BUP20946	1,8-Cineole

Catalog	Name
sc-489036	1,8-Diacetoxyoctane
B273093	1-Bromooctane-8,8,8-d3
AQ A2 0033-01	1,8-diphenyloctane-1,8-dione
JH917481	1--8-
HY-N2777	8-Hydroxyhyperforin 8,1-hemiacetal
CHR1835	Kinesis Ferrule 1/8 Graphite 1/8
sc-273508	[1,1']Binaphthalenyl-8,8'-dicarboxylic acid
P-802	Connector Barbed 1/8 x 1/8
sc-265106	1,8-Dibenzyl-1,4,8,11-tetraazacyclotetradecane
sc-53533	Podoplanin (8.1.1)