Basic information
- CAS
77922-37-3- Standard SMILES
C=C(C)C#CC(C)(O)C(C)CSCC- InChIKey
WOYHVBXSYNCYJD-UHFFFAOYSA-N- Molecular formula
- C12H20OS
- Average molar mass
- 212.35 g/mol
- Monoisotopic mass
- 212.12348643
Names & identifiers
- Preferred name
- 6-Hepten-4-yn-3-ol, 1-(ethylthio)-2,3,6-trimethyl-
- IUPAC
- 1-ethylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
Names & synonyms
77922-37-36-HEPTEN-4-YN-3-OL, 1-(ETHYLTHIO)-2,3,6-TRIMETHYL-RefChem:1073940BRN 43832082,5,6-Trimethyl-7-ethylthiohept-1-en-3-yn-5-ol1-(Ethylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-olDTXSID009991221-(ETHYLSULFANYL)-2,3,6-TRIMETHYLHEPT-6-EN-4-YN-3-OL
Database identifiers
- CAS
77922-37-3- PubChem CID
- 53832
- DTXSID
DTXSID00999122
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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