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833480-05-0 | 7,11-Tridecadien-4-ol, 8,12-dimethyl-5,5-bis(phenylthio)-, (7Z)-
CAS No: 833480-05-0 Catalog No: AG0055M4 MDL No:
Product Description
Catalog Number:
AG0055M4
Chemical Name:
7,11-Tridecadien-4-ol, 8,12-dimethyl-5,5-bis(phenylthio)-, (7Z)-
CAS Number:
833480-05-0
Molecular Formula:
C27H36OS2
Molecular Weight:
440.7041
IUPAC Name:
8,12-dimethyl-5,5-bis(phenylsulfanyl)trideca-7,11-dien-4-ol
InChI:
InChI=1S/C27H36OS2/c1-5-13-26(28)27(29-24-16-8-6-9-17-24,30-25-18-10-7-11-19-25)21-20-23(4)15-12-14-22(2)3/h6-11,14,16-20,26,28H,5,12-13,15,21H2,1-4H3
InChI Key:
CYTZMNMYDROREY-UHFFFAOYSA-N
SMILES:
CCCC(C(Sc1ccccc1)(Sc1ccccc1)C/C=C(\CCC=C(C)C)/C)O
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.221g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
440.704g/mol
Monoisotopic Mass:
440.221g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
9.1
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