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2,6,11-Trimethyl-Dodecane

CAT: 1596-AR-D06570-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D06570-01Size:10 Units
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CAS Number
31295-56-4
Molecular Formula
C15H32
Molecular Weight
212.42
API Name
Decane

Chemical Information

2,6,11-Trimethyldodecane

2,6,11-trimethyldodecane is a branched alkane consisting of dodecane bearing three methyl substituents at positions 2, 6 and 11.

CAS Number31295-56-4
PubChem CID35768
IUPAC Name2,6,11-trimethyldodecane
Molecular FormulaC15H32
Molecular Weight212.41
XLogP7.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count9
Heavy Atom Count15
Formal Charge0
Complexity124
SMILES
CC(C)CCCCC(C)CCCC(C)C
InChI
InChI=1S/C15H32/c1-13(2)9-6-7-11-15(5)12-8-10-14(3)4/h13-15H,6-12H2,1-5H3
InChIKey
FONXOARHSFUBAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6,11-Trimethyldodecane
CAS: 31295-56-4
CID: 35768
Formula: C15H32
MW: 212.41
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight212.41
XLogP37.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count9
Exact Mass212.250401021
Monoisotopic Mass212.250401021
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity124
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