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102244-23-5 | 6-Hepten-4-yn-3-ol, 1-(decylthio)-2,3,6-trimethyl-
CAS No: 102244-23-5 Catalog No: AG0006ZT MDL No:
Product Description
Catalog Number:
AG0006ZT
Chemical Name:
6-Hepten-4-yn-3-ol, 1-(decylthio)-2,3,6-trimethyl-
CAS Number:
102244-23-5
Molecular Formula:
C20H36OS
Molecular Weight:
324.5642
IUPAC Name:
1-decylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
InChI:
InChI=1S/C20H36OS/c1-6-7-8-9-10-11-12-13-16-22-17-19(4)20(5,21)15-14-18(2)3/h19,21H,2,6-13,16-17H2,1,3-5H3
InChI Key:
HBTWZHREWLKKRH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCSCC(C(C#CC(=C)C)(O)C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.249g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.567g/mol
Monoisotopic Mass:
324.249g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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