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Home Other Building Blocks 1,3-Dimethylcyclohexane

1,3-Dimethylcyclohexane

CAS No.:
591-21-9
Catalog Number:
AG003DKF
Molecular Formula:
C8H16
Molecular Weight:
112.2126
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$32
- +
25g
95%
In Stock USA
United States
$75
- +
100g
95%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003DKF
Chemical Name:
1,3-Dimethylcyclohexane
CAS Number:
591-21-9
Molecular Formula:
C8H16
Molecular Weight:
112.2126
MDL Number:
MFCD00064173
IUPAC Name:
1,3-dimethylcyclohexane
InChI:
InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3
InChI Key:
SGVUHPSBDNVHKL-UHFFFAOYSA-N
SMILES:
CC1CCCC(C1)C
EC Number:
209-707-0
Properties
Complexity:
58.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.125g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.216g/mol
Monoisotopic Mass:
112.125g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Probing human red cone opsin activity with retinal analogues. Journal of natural products 20110325
Facial selectivity of the (R)-1,3-dimethyl-1-cyclohexyl cation in the gas phase. Chemistry (Weinheim an der Bergstrasse, Germany) 20031107
Properties