Basic information
- CAS
102244-20-2- Standard SMILES
C=C(C)C#CC(C)(O)C(C)CSCCCCCCC- InChIKey
VOAMBOADIPKEHO-UHFFFAOYSA-N- Molecular formula
- C17H30OS
- Average molar mass
- 282.5 g/mol
- Monoisotopic mass
- 282.20173675
Names & identifiers
- Preferred name
- 1-(Heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol
- IUPAC
- 1-heptylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
- English name
- 6-Hepten-4-yn-3-ol, 1-(heptylthio)-2,3,6-trimethyl-
- Molecular weight
- 0
Names & synonyms
102244-20-21-(heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-olDTXSID00907287RefChem:1054695DTXCID6013363776-HEPTEN-4-YN-3-OL, 1-(HEPTYLTHIO)-2,3,6-TRIMETHYL-BRN 55199771-heptylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol2,5,6-Trimethyl-7-heptylthiohept-1-en-3-yn-5-ol1-(Heptylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol
Database identifiers
- CAS
102244-20-2- PubChem CID
- 59264
- DTXSID
DTXSID00907287
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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