102244-23-5
1-(DECYLTHIO)-2,3,6-TRIMETHYL-6-HEPTEN-4-YN-3-OL
Name1-(DECYLTHIO)-2,3,6-TRIMETHYL-6-HEPTEN-4-YN-3-OL
1Identification
【Name】
1-(DECYLTHIO)-2,3,6-TRIMETHYL-6-HEPTEN-4-YN-3-OL
【CAS】
【MDL】
MFCD01723604
【English Synonyms】
【Formula】
C20 H36 O S
【MolWeight】
324.569
【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
【InChIKey】
InChIKey=HBTWZHREWLKKRH-UHFFFAOYSA-N
【SMILES】
CCCCCCCCCCSCC(C)C(C)(C#CC(=C)C)O
【MOL File】
1-(DECYLTHIO)-2,3,6-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:1
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(DECYLTHIO)-2,3,6-TRIMETHYL-6-HEPTEN-4-YN-3-OL.cml