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Home Other Building Blocks 2,2,4,6,6-pentamethylheptane

2,2,4,6,6-pentamethylheptane

CAS No.:
13475-82-6
Catalog Number:
AG003F86
Molecular Formula:
C12H26
Molecular Weight:
170.3348
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Product Description
Catalog Number:
AG003F86
Chemical Name:
2,2,4,6,6-pentamethylheptane
CAS Number:
13475-82-6
Molecular Formula:
C12H26
Molecular Weight:
170.3348
MDL Number:
MFCD00026334
IUPAC Name:
2,2,4,6,6-pentamethylheptane
InChI:
InChI=1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3
InChI Key:
VKPSKYDESGTTFR-UHFFFAOYSA-N
SMILES:
CC(CC(C)(C)C)CC(C)(C)C
EC Number:
236-757-0
UNII:
A8289P68Y2
Properties
Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.203g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.34g/mol
Monoisotopic Mass:
170.203g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Literature
Title Journal
Allergic asthma exhaled breath metabolome: a challenge for comprehensive two-dimensional gas chromatography. Journal of chromatography. A 20120907
Authentication of fattening diet of Iberian pigs according to their volatile compounds profile from raw subcutaneous fat. Analytical and bioanalytical chemistry 20110201
Multimedia modeling of human exposure to chemical substances: the roles of food web biomagnification and biotransformation. Environmental toxicology and chemistry 20100101
Bioconcentration of n-dodecane and its highly branched isomer 2,2,4,6,6-pentamethylheptane in fathead minnows. Chemosphere 20020601
Properties