1-heptylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol

CAS: 102244-20-2

Molecular Formula	`C17H30OS`
Molecular Weight	282.5 g/mol
LogP	5.7
Topological Polar Surface Area	45.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	11
Exact Mass	282.20175
Heavy Atoms	19
Complexity	323.0

Chemical Identifiers

CAS Number	102244-20-2
SMILES	`CCCCCCCSCC(C)C(C)(C#CC(=C)C)O`
InChIKey	`VOAMBOADIPKEHO-UHFFFAOYSA-N`

📖 Product Overview

1-heptylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol (CAS: 102244-20-2) is a chemical compound with molecular formula C17H30OS and molecular weight 282.5 g/mol. Its IUPAC systematic name is 1-heptylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol. LogP 5.7 Topological Polar Surface Area 45.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 11 Exact Mass 282.20175 Heavy Atoms 19 Complexity 323.0 InChI Key: VOAMBOADIPKEHO-UHFFFAOYSA-N. SMILES: CCCCCCCSCC(C)C(C)(C#CC(=C)C)O.

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