2-Hex-5-enyl-5-nonylpyrrolidine
Basic information
- CAS
100594-88-5- Standard SMILES
C=CCCCCC1CCC(CCCCCCCCC)N1- InChIKey
VJYHAIYEEJOCLT-UHFFFAOYSA-N- Molecular formula
- C19H37N
- Average molar mass
- 279.5 g/mol
- Monoisotopic mass
- 279.29260018
Names & identifiers
- Preferred name
- 2-Hex-5-enyl-5-nonylpyrrolidine
- IUPAC
- 2-hex-5-enyl-5-nonylpyrrolidine
Names & synonyms
100594-88-5CHEMBL4176182-hex-5-enyl-5-nonylpyrrolidine2-hex-5-enyl-5-nonyl-pyrrolidine2-(5-hexenyl)-5-nonylpyrrolidinePyrrolidine, 2-(5-hexenyl)-5-nonyl-DTXSID90905611BDBM502844292-(1-hex-5-enyl)-5-nonylpyrrolidinePD1804762-(HEX-5-EN-1-YL)-5-NONYLPYRROLIDINE
Database identifiers
- CAS
100594-88-5- PubChem CID
- 180891
- DTXSID
DTXSID90905611- ChEMBL
CHEMBL417618
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 224
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Compound notes
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