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4-Methyldodecane

CAT: 0127-OR1051881-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1051881-02Size:1 g
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CAS Number
6117-97-1
MDL Number
MFCD00048968
Purity
95%
Smiles
CCCCCCCCC(CCC)C

Chemical Information

Dodecane, 4-methyl-

4-methyldodecane is an alkane.

CAS Number6117-97-1
PubChem CID521958
IUPAC Name4-methyldodecane
Molecular FormulaC13H28
Molecular Weight184.36
XLogP7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count9
Heavy Atom Count13
Formal Charge0
Complexity86
SMILES
CCCCCCCCC(C)CCC
InChI
InChI=1S/C13H28/c1-4-6-7-8-9-10-12-13(3)11-5-2/h13H,4-12H2,1-3H3
InChIKey
UZTXSMATBUWDDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dodecane, 4-methyl-
CAS: 6117-97-1
CID: 521958
Formula: C13H28
MW: 184.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.36
XLogP37
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count9
Exact Mass184.219100893
Monoisotopic Mass184.219100893
Topological Polar Surface Area0 Ų
Heavy Atom Count13
Formal Charge0
Complexity86
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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