1-(Decylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol

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Basic information

CAS: 102244-23-5
Standard SMILES: C=C(C)C#CC(C)(O)C(C)CSCCCCCCCCCC
InChIKey: HBTWZHREWLKKRH-UHFFFAOYSA-N
Molecular formula: C20H36OS
Average molar mass: 324.6 g/mol
Monoisotopic mass: 324.24868694

Names & identifiers

Preferred name: 1-(Decylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol
IUPAC: 1-decylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
English name: 1-(Decylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol
Molecular weight: 0

Names & synonyms

102244-23-5DTXSID309072901-(decylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-olRefChem:1054635DTXCID3013363801-(Decylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol6-HEPTEN-4-YN-3-OL, 1-(DECYLTHIO)-2,3,6-TRIMETHYL-BRN 55325211-decylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol2,5,6-Trimethyl-7-decylthiohept-1-en-3-yn-5-ol1-(Decylthio)-2,3,6-trimethylhept-6-en-4-yn-3-ol

Database identifiers

CAS: 102244-23-5
PubChem CID: 59267
DTXSID: DTXSID30907290

Properties

Computed structural properties

XLogP: 7.4
Topological polar surface area: 45.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 14
Heavy atoms: 22
Formal charge: 0
Complexity: 362

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Compound notes

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