2,3,6-trimethyl-1-pentylsulfanylhept-6-en-4-yn-3-ol

CAS: 102244-17-7

Molecular Formula	`C15H26OS`
Molecular Weight	254.4 g/mol
LogP	4.7
Topological Polar Surface Area	45.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	9
Exact Mass	254.17044
Heavy Atoms	17
Complexity	297.0

Chemical Identifiers

CAS Number	102244-17-7
SMILES	`CCCCCSCC(C)C(C)(C#CC(=C)C)O`
InChIKey	`ZNGBLRGEGYXVCE-UHFFFAOYSA-N`

📖 Product Overview

2,3,6-trimethyl-1-pentylsulfanylhept-6-en-4-yn-3-ol (CAS: 102244-17-7) is a chemical compound with molecular formula C15H26OS and molecular weight 254.4 g/mol. Its IUPAC systematic name is 2,3,6-trimethyl-1-pentylsulfanylhept-6-en-4-yn-3-ol. LogP 4.7 Topological Polar Surface Area 45.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 9 Exact Mass 254.17044 Heavy Atoms 17 Complexity 297.0 InChI Key: ZNGBLRGEGYXVCE-UHFFFAOYSA-N. SMILES: CCCCCSCC(C)C(C)(C#CC(=C)C)O.

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