Docosane

CAT: 0127-BUP18944Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-BUP18944Size:1 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

629-97-0

Purity

=98%

Smiles

CCCCCCCCCCCCCCCCCCCCCC

Chemical Information

Docosane

Docosane is a straight-chain alkane with 22 carbon atoms. It has a role as a plant metabolite.

CAS Number	629-97-0
PubChem CID	12405
IUPAC Name	docosane
Molecular Formula	C22H46
Molecular Weight	310.6
XLogP	11.5
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	19
Heavy Atom Count	22
Formal Charge	0
Complexity	153

SMILES

CCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3

InChIKey

HOWGUJZVBDQJKV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 629-97-0

CID: 12405

Formula: C22H46

MW: 310.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	310.6
XLogP3	11.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	19
Exact Mass	310.359951467
Monoisotopic Mass	310.359951467
Topological Polar Surface Area	0 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	153
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
FD181236-01	Docosane
HY-N9929S-01	Docosane-d46
HY-N9929R-01	Docosane (Standard)
S-1790	Docosane - 1ML
TRC-D678806-250MG	n-Docosane-d46
079635-01	N-Docosane for Synthesis
D55650-01	N-Docosane 99%
T84242-01	Docosane-1,22-diol
AQ NN 0388-01	(6S,8S,15S,17S) -2,11-diazaheptacyclo[13.3.1.14,8.16,10.113,17.02,12.03,11]docosane