Home Carboxys 1,2-Cyclopropanedicarboxylic acid,bis[5-methyl-2-(1-methylethyl)cyclohexyl] ester,[1R-[1a[1S*,2S*(1R*,2S*,5R*)],2b,5a]]-

1,2-Cyclopropanedicarboxylic acid,bis[5-methyl-2-(1-methylethyl)cyclohexyl] ester,[1R-[1a[1S*,2S*(1R*,2S*,5R*)],2b,5a]]-

CAS No.:
96149-00-7
Catalog Number:
AG00IM3P
Molecular Formula:
C25H42O4
Molecular Weight:
406.5986
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Product Description
Catalog Number:
AG00IM3P
Chemical Name:
1,2-Cyclopropanedicarboxylic acid,bis[5-methyl-2-(1-methylethyl)cyclohexyl] ester,[1R-[1a[1S*,2S*(1R*,2S*,5R*)],2b,5a]]-
CAS Number:
96149-00-7
Molecular Formula:
C25H42O4
Molecular Weight:
406.5986
MDL Number:
MFCD07777104
IUPAC Name:
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1S,2S)-cyclopropane-1,2-dicarboxylate
InChI:
InChI=1S/C25H42O4/c1-14(2)18-9-7-16(5)11-22(18)28-24(26)20-13-21(20)25(27)29-23-12-17(6)8-10-19(23)15(3)4/h14-23H,7-13H2,1-6H3/t16-,17-,18+,19+,20+,21+,22-,23-/m1/s1
InChI Key:
OKUZYZZYXCUVKO-PKZPLIPCSA-N
SMILES:
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]1C[C@@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(C)C
Properties
Complexity:
533  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
406.308g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.607g/mol
Monoisotopic Mass:
406.308g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7  
Properties