Home Carboxys Methyl (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxylate

Methyl (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxylate

CAS No.:
16052-43-0
Catalog Number:
AG01F5FG
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
90%
1 week
United States
$281
- +
1g
90%
1 week
United States
$524
- +
5g
90%
1 week
United States
$1982
- +
25g
90%
1 week
United States
$5455
- +
Product Description
Catalog Number:
AG01F5FG
Chemical Name:
Methyl (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxylate
CAS Number:
16052-43-0
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
MDL Number:
MFCD31654102
IUPAC Name:
methyl (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
InChI:
InChI=1S/C12H22O2/c1-8(2)10-6-5-9(3)7-11(10)12(13)14-4/h8-11H,5-7H2,1-4H3/t9-,10+,11-/m1/s1
InChI Key:
WSNSSGPONUMHFZ-OUAUKWLOSA-N
SMILES:
COC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties