1,2-Octanediol

CAT: 1489-O1080-02Size: 100 gDry Ice: NoHazardous: No

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CAT#:1489-O1080-02Size:100 g

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CAS Number

1117-86-8

Purity

0.96

Chemical Information

1,2-Octanediol

Octane-1,2-diol is an octanediol.

CAS Number	1117-86-8
PubChem CID	14231
IUPAC Name	octane-1,2-diol
Molecular Formula	C8H18O2
Molecular Weight	146.23
XLogP	1.8
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	10
Formal Charge	0
Complexity	64

SMILES

CCCCCCC(CO)O

InChI

InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3

InChIKey

AEIJTFQOBWATKX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1117-86-8

CID: 14231

Formula: C8H18O2

MW: 146.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	146.23
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	146.130679813
Monoisotopic Mass	146.130679813
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	64.3
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

Catalog	Name
B2310	1,1-Binaphthyl-2,2-Diamine
R3080-01	(R) -[1,1-Binaphthalene]-2,2-Diamine
B1240-01	2,2-Bis (Diphenylphosphino) -1,1-Biphenyl
B6960-01	(R) - (-) -1,1’-Binaphthyl-2,2’-diyl hydrogenphosphate
R3120-01	(R) -2,2-Bis (methoxymethoxy) -1,1-Binaphthalene
D7470-01	2,2-Dimethylcyclopentan-1-One
S2420	(2S) -1- (11bS) -Dinaphtho[2,1-d:1,2-f][1,3,2]Dioxaphosphepin-4-Yl-1,2,3,4-Tetrahydro-2-Methylquinoline
D5960-01	1,1-DIPHENYL-2-PICRYLHYDRAZINE
P6681-01	1- (2-Pyridylazo) -2-naphthol
P6680-01	1- (2-Pyridylazo) -2-naphthol