2,6-Dimethylundecane

CAT: 0127-OR2377Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR2377Size:1 Each

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CAS Number

17301-23-4

MDL Number

MFCD00048876

Purity

=95%

Smiles

CCCCCC(C)CCCC(C)C

Chemical Information

2,6-Dimethylundecane

CAS Number	17301-23-4
PubChem CID	28453
IUPAC Name	2,6-dimethylundecane
Molecular Formula	C13H28
Molecular Weight	184.36
XLogP	6.7
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	8
Heavy Atom Count	13
Formal Charge	0
Complexity	94

SMILES

CCCCCC(C)CCCC(C)C

InChI

InChI=1S/C13H28/c1-5-6-7-10-13(4)11-8-9-12(2)3/h12-13H,5-11H2,1-4H3

InChIKey

MFUPKUZLTKVMFM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17301-23-4

CID: 28453

Formula: C13H28

MW: 184.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.36
XLogP3	6.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	8
Exact Mass	184.219100893
Monoisotopic Mass	184.219100893
Topological Polar Surface Area	0 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	94.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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