Basic information
- CAS
102244-17-7- Standard SMILES
C=C(C)C#CC(C)(O)C(C)CSCCCCC- InChIKey
ZNGBLRGEGYXVCE-UHFFFAOYSA-N- Molecular formula
- C15H26OS
- Average molar mass
- 254.4 g/mol
- Monoisotopic mass
- 254.17043662
Names & identifiers
- Preferred name
- 2,3,6-Trimethyl-1-(pentylsulfanyl)hept-6-en-4-yn-3-ol
- IUPAC
- 2,3,6-trimethyl-1-pentylsulfanylhept-6-en-4-yn-3-ol
Names & synonyms
102244-17-7DTXSID209072842,3,6-trimethyl-1-(pentylsulfanyl)hept-6-en-4-yn-3-olRefChem:1059257DTXCID501336374BRN 55117162,5,6-Trimethyl-7-pentylthiohept-1-en-3-yn-5-ol1-(Pentylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol6-HEPTEN-4-YN-3-OL, 1-(PENTYLTHIO)-2,3,6-TRIMETHYL-
Database identifiers
- CAS
102244-17-7- PubChem CID
- 59261
- DTXSID
DTXSID20907284
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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