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137077-18-0 | Cyclopentane, tris[2-methyl-1-(1-methylnonyl)decyl]- (9CI)
CAS No: 137077-18-0 Catalog No: AG0012TM MDL No:
Product Description
Catalog Number:
AG0012TM
Chemical Name:
Cyclopentane, tris[2-methyl-1-(1-methylnonyl)decyl]- (9CI)
CAS Number:
137077-18-0
Molecular Formula:
C68H136
Molecular Weight:
953.8074
IUPAC Name:
1,1,2-tris(9,11-dimethylnonadecan-10-yl)cyclopentane
InChI:
InChI=1S/C68H136/c1-13-19-25-31-37-43-50-58(7)65(59(8)51-44-38-32-26-20-14-2)64-56-49-57-68(64,66(60(9)52-45-39-33-27-21-15-3)61(10)53-46-40-34-28-22-16-4)67(62(11)54-47-41-35-29-23-17-5)63(12)55-48-42-36-30-24-18-6/h58-67H,13-57H2,1-12H3
InChI Key:
OOQDESJYCMXRJQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C(C1CCCC1(C(C(CCCCCCCC)C)C(CCCCCCCC)C)C(C(CCCCCCCC)C)C(CCCCCCCC)C)C(CCCCCCCC)C)C
Properties
Complexity:
911
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
953.064g/mol
Formal Charge:
0
Heavy Atom Count:
68
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
953.836g/mol
Monoisotopic Mass:
953.064g/mol
Rotatable Bond Count:
51
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
33.5
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