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1-octoxyoctane

CAT: 0013-GTR19243528-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243528-02Size:25 mg
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Description
1-octoxyoctane is an important compound in the chemical industry.
CAS Number
629-82-3
Purity
>98% (HPLC)
Smiles
CCCCCCCCOCCCCCCCC
Molecular Formula
C16H34O
Molecular Weight
242.44
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Dicaprylyl Ether

1,1'-Oxybisoctane is an ether.

CAS Number629-82-3
PubChem CID12399
IUPAC Name1-octoxyoctane
Molecular FormulaC16H34O
Molecular Weight242.44
XLogP6.9
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Heavy Atom Count17
Formal Charge0
Complexity109
SMILES
CCCCCCCCOCCCCCCCC
InChI
InChI=1S/C16H34O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey
NKJOXAZJBOMXID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dicaprylyl Ether
CAS: 629-82-3
CID: 12399
Formula: C16H34O
MW: 242.44
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.44
XLogP36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Exact Mass242.260965704
Monoisotopic Mass242.260965704
Topological Polar Surface Area9.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity109
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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