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Dodecane

CAT: 0127-OR95461-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR95461-01Size:25 g
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CAS Number
112-40-3
MDL Number
MFCD00008969
Purity
98%
Smiles
CCCCCCCCCCCC

Chemical Information

Dodecane

Dodecane is a straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger). It has a role as a plant metabolite.

CAS Number112-40-3
PubChem CID8182
IUPAC Namedodecane
Molecular FormulaC12H26
Molecular Weight170.33
XLogP6.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count9
Heavy Atom Count12
Formal Charge0
Complexity56
SMILES
CCCCCCCCCCCC
InChI
InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey
SNRUBQQJIBEYMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dodecane
CAS: 112-40-3
CID: 8182
Formula: C12H26
MW: 170.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.33
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count9
Exact Mass170.203450829
Monoisotopic Mass170.203450829
Topological Polar Surface Area0 Ų
Heavy Atom Count12
Formal Charge0
Complexity56.4
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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