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2,6-Dimethyldecane

CAT: 1596-AR-D06581-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D06581-02Size:25 Units
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CAS Number
13150-81-7
Molecular Formula
C12H26
Molecular Weight
170.34
API Name
Decane

Chemical Information

2,6-Dimethyldecane

2,6-dimethyldecane is an alkane.

CAS Number13150-81-7
PubChem CID139395
IUPAC Name2,6-dimethyldecane
Molecular FormulaC12H26
Molecular Weight170.33
XLogP6.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
Heavy Atom Count12
Formal Charge0
Complexity84
SMILES
CCCCC(C)CCCC(C)C
InChI
InChI=1S/C12H26/c1-5-6-9-12(4)10-7-8-11(2)3/h11-12H,5-10H2,1-4H3
InChIKey
DHJGXZWEQBKLNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dimethyldecane
CAS: 13150-81-7
CID: 139395
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 Count7
Exact Mass170.203450829
Monoisotopic Mass170.203450829
Topological Polar Surface Area0 Ų
Heavy Atom Count12
Formal Charge0
Complexity84
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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