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121690-74-2 | 1-Tetracontanol, 24,28-dimethyl-
CAS No: 121690-74-2 Catalog No: AG0015KV MDL No:
Product Description
Catalog Number:
AG0015KV
Chemical Name:
1-Tetracontanol, 24,28-dimethyl-
CAS Number:
121690-74-2
Molecular Formula:
C42H86O
Molecular Weight:
607.1316
IUPAC Name:
24,28-dimethyltetracontan-1-ol
InChI:
InChI=1S/C42H86O/c1-4-5-6-7-8-9-23-26-29-32-36-41(2)38-35-39-42(3)37-33-30-27-24-21-19-17-15-13-11-10-12-14-16-18-20-22-25-28-31-34-40-43/h41-43H,4-40H2,1-3H3
InChI Key:
CFLFEONAJOQQKN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(CCCC(CCCCCCCCCCCCCCCCCCCCCCCO)C)C
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
606.668g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
607.149g/mol
Monoisotopic Mass:
606.668g/mol
Rotatable Bond Count:
38
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
20.8
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