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| CAS No.: | 71550-33-9 |
|---|---|
| Name: | 16,17-bis(decyloxy)violanthrone |
| Molecular Structure: | |
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| Formula: | C54H56 O4 |
| Molecular Weight: | 769.036 |
| Synonyms: | 16,17-bis(decyloxy)violanthrone;16,17-Bis(decyloxy)anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione;Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione,16,17-bis(decyloxy)- |
| EINECS: | 275-606-3 |
| Density: | 1.179g/cm3 |
| PSA: | 52.60000 |
| LogP: | 15.19900 |
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- Total:34 Page 1 of 1 1
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Specification
16,17-bis(decyloxy)violanthrone, with the CAS number 71550-33-9, has the Synonyms of 1-Aza-2-cyclotridecanone; 2-Azacyclotridecanone; 2-Oxo-dodecamethylenimine; 5-21-06-00566 (Beilstein Handbook Reference);BRN 0122031;Cyclododecalactam; Dodecanoic acid, 12-amino-, lactam; Dodecyllactam. The Molecular Formula of 16,17-bis(decyloxy)violanthrone is C54H56O4 .
Physical properties about 16,17-bis(decyloxy)violanthrone are: (1)ACD/LogP: 17.969; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 17.97; (4)ACD/LogD (pH 7.4): 17.97; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 10000000.00 ; (8)ACD/KOC (pH 7.4): 10000000.00; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 20; (11)Index of Refraction: 1.665 ; (12)Molar Refractivity: 242.402 cm3; (13)Molar Volume: 652.014 cm3; (14)Polarizability: 96.096 10-24cm3; (15)Surface Tension: 53.5279998779297 dyne/cm; (16)Density: 1.179 g/cm3
You can still convert the following datas into molecular structure:
(1)InChI=1S/C54H56O4/c1-3-5-7-9-11-13-15-21-31-57-45-33-43-35-23-17-19-25-39(35)53(55)41-29-27-37-38-28-30-42-48-44(36-24-18-20-26-40(36)54(42)56)34-46(52(50(38)48)51(45)49(37)47(41)43)58-32-22-16-14-12-10-8-6-4-2/h17-20,23-30,33-34H,3-16,21-22,31-32H2,1-2H3;
(2)InChIKey=YTNNSUYQMZKRFE-UHFFFAOYSA-N;
(3)Smilesc1c2c3c4c(c1OCCCCCCCCCC)c1c5c(c4ccc3C(c3ccccc23)=O)ccc2c5c(c3c(C2=O)cccc3)cc1OCCCCCCCCCC