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83742-03-4

83742-03-4 | 1,2-Cyclohexanedimethanol, 3-butyl-6-(10-hydroxydecyl)-

CAS No: 83742-03-4 Catalog No: AG0055XT MDL No:

Product Description

Catalog Number:
AG0055XT
Chemical Name:
1,2-Cyclohexanedimethanol, 3-butyl-6-(10-hydroxydecyl)-
CAS Number:
83742-03-4
Molecular Formula:
C22H44O3
Molecular Weight:
356.5830
IUPAC Name:
10-[4-butyl-2,3-bis(hydroxymethyl)cyclohexyl]decan-1-ol
InChI:
InChI=1S/C22H44O3/c1-2-3-12-19-14-15-20(22(18-25)21(19)17-24)13-10-8-6-4-5-7-9-11-16-23/h19-25H,2-18H2,1H3
InChI Key:
DKJNJHVVCPJESK-UHFFFAOYSA-N
SMILES:
CCCCC1CCC(C(C1CO)CO)CCCCCCCCCCO

Properties

Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.329g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
356.591g/mol
Monoisotopic Mass:
356.329g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7  

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