Basic information
- CAS
154887-99-7- Standard SMILES
CCCCCCCCCC(=O)N1CCCC1CC(C)OC(=O)/C(C)=C/CO- InChIKey
SFRYKSNXTDUSHX-UHFFFAOYSA-N- Molecular formula
- C22H39NO4
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.28790873
Overview
structure given in first source; a DNA-binding compound from Chamaesaracha conioides
Names & identifiers
- Preferred name
- Conioidine B
- IUPAC
- 1-(1-decanoylpyrrolidin-2-yl)propan-2-yl (E)-4-hydroxy-2-methylbut-2-enoate
- English name
- conioidine B
- Molecular formula
- C22H39NO4
- Molecular weight
- 381.55
Names & synonyms
Conioidine B154887-99-71-(1-decanoylpyrrolidin-2-yl)propan-2-yl (E)-4-hydroxy-2-methylbut-2-enoateRefChem:1277502-Butenoic acid, 4-hydroxy-2-methyl-, 1-methyl-2-(1-(1-oxodecyl)-2-pyrrolidinyl)ethyl ester2-Butenoic acid, 4-hydroxy-2-methyl-, 1-methyl-2-[1-(1-oxodecyl)-2-pyrrolidinyl]ethyl ester (9CI)
Database identifiers
- CAS
154887-99-7- PubChem CID
- 6440933
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 475
Physicochemical properties
- Boiling point
- 530.6 · 530.6±30.0 °C(Predicted)
- Density
- 1.018 · 1.018±0.06 g/cm3(Predicted)
- pka
- 13.31 · 13.31±0.10(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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