Basic information
- CAS
102244-21-3- Standard SMILES
C=C(C)C#CC(C)(O)C(C)CSCCCCCCCC- InChIKey
ODMXGWKISBQVMI-UHFFFAOYSA-N- Molecular formula
- C18H32OS
- Average molar mass
- 296.5 g/mol
- Monoisotopic mass
- 296.21738681
Names & identifiers
- Preferred name
- 6-Hepten-4-yn-3-ol, 1-(octylthio)-2,3,6-trimethyl-
- IUPAC
- 2,3,6-trimethyl-1-octylsulfanylhept-6-en-4-yn-3-ol
Names & synonyms
102244-21-36-HEPTEN-4-YN-3-OL, 1-(OCTYLTHIO)-2,3,6-TRIMETHYL-RefChem:1073941BRN 55225642,5,6-Trimethyl-7-octylthiohept-1-en-3-yn-5-ol1-(Octylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol2,3,6-trimethyl-1-(octylsulfanyl)hept-6-en-4-yn-3-olDTXSID60907288
Database identifiers
- CAS
102244-21-3- PubChem CID
- 59265
- DTXSID
DTXSID60907288
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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