6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl-
Basic information
- CAS
77922-39-5- Standard SMILES
C=C(C)C#CC(C)(O)C(C)CSCCCC- InChIKey
YCHNNCYXLMFMCR-UHFFFAOYSA-N- Molecular formula
- C14H24OS
- Average molar mass
- 240.41 g/mol
- Monoisotopic mass
- 240.15478656
Names & identifiers
- Preferred name
- 6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl-
- IUPAC
- 1-butylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
Names & synonyms
77922-39-56-HEPTEN-4-YN-3-OL, 1-(BUTYLTHIO)-2,3,6-TRIMETHYL-RefChem:1073939BRN 43920572,5,6-Trimethyl-7-butylthiohept-1-en-3-yn-5-ol1-(Butylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-olDTXSID209991241-(butylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol
Database identifiers
- CAS
77922-39-5- PubChem CID
- 53834
- DTXSID
DTXSID20999124
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
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Compound notes
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