Basic information
- Standard SMILES
C=CCCCSC(C)(C)C=O- InChIKey
XQBJUQNRPGZMSE-UHFFFAOYSA-N- Molecular formula
- C9H16OS
- Average molar mass
- 172.29 g/mol
- Monoisotopic mass
- 172.0921863
Names & identifiers
- Preferred name
- 2-(4-Pentenylthio)-2-methylpropanal
- IUPAC
- 2-methyl-2-pent-4-enylsulfanylpropanal
Names & synonyms
2-(4-pentenylthio)-2-methylpropanalSCHEMBL9323464XQBJUQNRPGZMSE-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 10241266
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Related reactions
3 records
Compound notes
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