Basic information
- Name:
2(3H)-Furanone,5-(1Z)-1-decen-1-yldihydro-, (5R)-
- Superlist Name:
- Japonilure
- CAS No.:
64726-91-6
- Molecular Structure:
- Formula:
- C14H24O2
- Molecular Weight:
- 224.33916
- Deleted CAS:
- 77518-55-9
- Synonyms:
- 2(3H)-Furanone,5-(1-decenyl)dihydro-, [R-(Z)]-;2(3H)-Furanone, 5-(1Z)-1-decenyldihydro-,(5R)- (9CI);(-)-(R)-(5Z)-Tetradecenolide;(R)-(+)-5-[(Z)-Dec-1-enyl]dihydrofuran-2(3H)-one;(R)-Japonilure;(R,Z)-5-(-)-(Dec-1-enyl)oxacyclopentan-2-one;(R,Z)-5-(1-Decenyl)dihydro-2(3H)-furanone;(R,Z)-5-(Dec-1-enyl)oxacyclopentan-2-one;IN 60;IN 60 (pheromone);Japonilure;
- Density:
- 0.985 g/cm3
- Boiling Point:
- 340.3 °C at 760 mmHg
- Flash Point:
- 141.3 °C
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Specification
The Japonilure, with the cas registry number 64726-91-6, has the systematic name of (5R)-5-[(1Z)-dec-1-en-1-yl]dihydrofuran-2(3H)-one. And the molecular fomula of the chemical is C14H24O2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 4.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.21; (4)ACD/LogD (pH 7.4): 4.21; (5)ACD/BCF (pH 5.5): 938; (6)ACD/BCF (pH 7.4): 938; (7)ACD/KOC (pH 5.5): 4667.71; (8)ACD/KOC (pH 7.4): 4667.71; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 68.35 cm3; (15)Molar Volume: 227.6 cm3; (16)Polarizability: 27.09×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 0.985 g/cm3; (19)Flash Point: 141.3 °C; (20)Enthalpy of Vaporization: 58.39 kJ/mol; (21)Boiling Point: 340.3 °C at 760 mmHg; (22)Vapour Pressure: 8.67E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1O[C@@H](\C=C/CCCCCCCC)CC1
(2)InChI: InChI=1/C14H24O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(15)16-13/h9-10,13H,2-8,11-12H2,1H3/b10-9-/t13-/m0/s1
(3)InChIKey: QTGIYXFCSKXKMO-XPSMFNQNBJ