2,3,6-Trimethyl-1-(nonylsulfanyl)hept-6-en-4-yn-3-ol

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Basic information

CAS: 102244-22-4
Standard SMILES: C=C(C)C#CC(C)(O)C(C)CSCCCCCCCCC
InChIKey: VYZBRGJPPSIOLK-UHFFFAOYSA-N
Molecular formula: C19H34OS
Average molar mass: 310.5 g/mol
Monoisotopic mass: 310.23303688

Names & identifiers

Preferred name: 2,3,6-Trimethyl-1-(nonylsulfanyl)hept-6-en-4-yn-3-ol
IUPAC: 2,3,6-trimethyl-1-nonylsulfanylhept-6-en-4-yn-3-ol
English name: 2,3,6-trimethyl-1-nonylsulfanyl-hept-6-en-4-yn-3-ol
Molecular formula: C19H34OS
Molecular weight: 0

Names & synonyms

102244-22-4DTXSID209072892,3,6-trimethyl-1-(nonylsulfanyl)hept-6-en-4-yn-3-olRefChem:1059256DTXCID0013363792,3,6-Trimethyl-1-(nonylthio)hept-6-en-4-yn-3-ol2,3,6-trimethyl-1-nonylsulfanylhept-6-en-4-yn-3-olBRN 55291112,5,6-Trimethyl-7-nonylthiohept-1-en-3-yn-5-ol1-(Nonylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol6-HEPTEN-4-YN-3-OL, 1-(NONYLTHIO)-2,3,6-TRIMETHYL-2,3,6-TRIMETHYL-1-NONYLSULFANYL-HEPT-6-EN-4-YN-3-OL

Database identifiers

CAS: 102244-22-4
PubChem CID: 59266
DTXSID: DTXSID20907289

Properties

Computed structural properties

XLogP: 6.8
Topological polar surface area: 45.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 13
Heavy atoms: 21
Formal charge: 0
Complexity: 349

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Compound notes

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