-
Name
3-Oxo-N-[(3S)-tetrahydro-2-oxo-3-furanyl]dodecanamide
- EINECS
- CAS No. 168982-69-2
- Article Data15
- CAS DataBase
- Density 1.066 g/cm3
- Solubility
- Melting Point
- Formula C16H27NO4
- Boiling Point 519.4 °C at 760 mmHg
- Molecular Weight 297.395
- Flash Point 267.924 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 3-Oxo-N-[(3S)-tetrahydro-2-oxo-3-furanyl]dodecanamide;N-(3-oxododecanoyl)-L-homoserine lactone L-enantiomer
- PSA 72.47000
- LogP 2.90890
3-Oxo-N-[(3S)-tetrahydro-2-oxo-3-furanyl]dodecanamide Specification
The 3-Oxo-N-[(3S)-tetrahydro-2-oxo-3-furanyl]dodecanamide is an organic compound with the formula C16H27NO4. The systematic name of this chemical is 3-oxo-N-(2-oxotetrahydrofuran-3-yl)dodecanamide. With the CAS registry number 168982-69-2, it is also named as N-(3-Oxododecanoyl)homoserine lactone.
Physical properties about 3-Oxo-N-[(3S)-tetrahydro-2-oxo-3-furanyl]dodecanamide are: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 2.227; (3)ACD/LogD (pH 7.4): 2.225; (4)ACD/BCF (pH 5.5): 29.021; (5)ACD/BCF (pH 7.4): 28.902; (6)ACD/KOC (pH 5.5): 387.81; (7)ACD/KOC (pH 7.4): 386.219; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 72.47 Å2; (12)Index of Refraction: 1.484; (13)Molar Refractivity: 79.807 cm3; (14)Molar Volume: 278.974 cm3; (15)Polarizability: 31.638×10-24cm3; (16)Surface Tension: 40.437 dyne/cm; (17)Density: 1.066 g/cm3; (18)Flash Point: 267.924 °C; (19)Enthalpy of Vaporization: 79.215 kJ/mol; (20)Boiling Point: 519.4 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCC(=O)CC(=O)NC1CCOC1=O
(2)InChI: InChI=1/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)
(3)InChIKey: PHSRRHGYXQCRPU-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)
(5)Std. InChIKey: PHSRRHGYXQCRPU-UHFFFAOYSA-N
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