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102037-88-7 | Thiophene, 3-methyl-2-(3,7,11-trimethyldodecyl)-
CAS No: 102037-88-7 Catalog No: AG0006FK MDL No:
Product Description
Catalog Number:
AG0006FK
Chemical Name:
Thiophene, 3-methyl-2-(3,7,11-trimethyldodecyl)-
CAS Number:
102037-88-7
Molecular Formula:
C20H36S
Molecular Weight:
308.5648
IUPAC Name:
3-methyl-2-(3,7,11-trimethyldodecyl)thiophene
InChI:
InChI=1S/C20H36S/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-19(5)14-15-21-20/h14-18H,6-13H2,1-5H3
InChI Key:
GQSRQFZJEZGNKO-UHFFFAOYSA-N
SMILES:
CC(CCCC(C)C)CCCC(CCc1sccc1C)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.254g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.568g/mol
Monoisotopic Mass:
308.254g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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