Basic information
- CAS
102244-19-9- Standard SMILES
C=C(C)C#CC(C)(O)C(C)CSCCCCCC- InChIKey
XPQWRZYCFSFHSO-UHFFFAOYSA-N- Molecular formula
- C16H28OS
- Average molar mass
- 268.5 g/mol
- Monoisotopic mass
- 268.18608669
Names & identifiers
- Preferred name
- 1-(Hexylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol
- IUPAC
- 1-hexylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
Names & synonyms
102244-19-9DTXSID409072861-(hexylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-olRefChem:1054700DTXCID901336376BRN 55147572,5,6-Trimethyl-7-hexylthiohept-1-en-3-yn-5-ol1-(Hexylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol6-HEPTEN-4-YN-3-OL, 1-(HEXYLTHIO)-2,3,6-TRIMETHYL-
Database identifiers
- CAS
102244-19-9- PubChem CID
- 59263
- DTXSID
DTXSID40907286
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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