3-oxo-N-(2-oxooxolan-3-yl)octanamide
Basic information
- CAS
106983-27-1- Standard SMILES
CCCCCC(=O)CC(=O)NC1CCOC1=O- InChIKey
FXCMGCFNLNFLSH-UHFFFAOYSA-N- Molecular formula
- C12H19NO4
- Average molar mass
- 241.28 g/mol
- Monoisotopic mass
- 241.13140809
Overview
3-Oxo-N-(2-oxooxolan-3-yl)octanamide is a N-acyl-amino acid.
Names & identifiers
- Preferred name
- 3-oxo-N-(2-oxooxolan-3-yl)octanamide
- IUPAC
- 3-oxo-N-(2-oxooxolan-3-yl)octanamide
- English name
- N-(3-Oxooctanoyl)-DL-homoserine lactone
- Molecular formula
- C12H19NO4
- Molecular weight
- 241.28
Names & synonyms
106983-27-1N-(3-Oxooctanoyl)-DL-homoserine lactone3-oxo-N-(2-oxooxolan-3-yl)octanamideN-(3X-Oxooctanoyl)-DL-homoserine lactone3-Oxo-N-(2-oxotetrahydrofuran-3-yl)octanamide(Rac)-3-oxo-C8-HSLMFCD129124313-Oxo-N-(tetrahydro-2-oxo-3-furanyl)-octanamide3-oxo-C8-homoserine lactoneCHEMBL482475orb1706129SCHEMBL12341644
Show more names
N3-PEG6-NHBocN-3-oxooctanoyl homoserine lactoneN- (3-oxooctyl) - DL homoserine lactoneN-(β-Ketooctanoyl)-DL-homoserine lactone
DTXSID80403631CHEBI:181091AKOS038551272DA-55821MS-23417HY-113801CS-0062892G13806
Database identifiers
- CAS
106983-27-1- PubChem CID
- 4476497
- DTXSID
DTXSID80403631- ChEMBL
CHEMBL482475- ChEBI
CHEBI:181091- Nikkaji
- J1.006.256J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Boiling point
- 490.113 · 490.113±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.128 · 1.128±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 50 mg/mL, · chloroform: soluble50mg/mL, clear, very faintly yellow
- form
- white powder
- pka
- 10.175 · 10.175±0.10(predicted)
- color
- White to off-white
- InChI
- 1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)
- InChIKey
- FXCMGCFNLNFLSH-UHFFFAOYSA-N
- SMILES
- CCCCCC(=O)CC(=O)NC1CCOC1=O
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 32 · NA.32
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesN-(3-Oxooctanoyl)-DL-homoserine lacton is a member of N-Acyl homoserine lactone (AHL) from gram-negative bacteria, with stereochemistry-dependent growth regulatory activity for roots [1].
Additional notes
DefinitionChEBI: 3-Oxo-N-(2-oxooxolan-3-yl)octanamide is a N-acyl-amino acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…