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 Number	112-40-3
PubChem CID	8182
IUPAC Name	dodecane
Molecular Formula	C12H26
Molecular Weight	170.33
XLogP	6.1
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	9
Heavy Atom Count	12
Formal Charge	0
Complexity	56

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

CAS: 112-40-3

CID: 8182

Formula: C12H26

MW: 170.33

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	170.33
XLogP3	6.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	9
Exact Mass	170.203450829
Monoisotopic Mass	170.203450829
Topological Polar Surface Area	0 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	56.4
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

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Dodecane

Chemical Information

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