C352H496O140 — CID 58122047
pentatriacontakis[2-(2-methylprop-2-enoyloxy)ethyl] 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69-hexatriacontamethylhenheptacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69-pentatriacontacarboxylate (PubChem CID 58122047) has the molecular formula C352H496O140 and a molecular weight of 6967.70 g/mol. Its IUPAC name is pentatriacontakis[2-(2-methylprop-2-enoyloxy)ethyl] 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69-hexatriacontamethylhenheptacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69-pentatriacontacarboxylate.
| Compound Name | pentatriacontakis[2-(2-methylprop-2-enoyloxy)ethyl] 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69-hexatriacontamethylhenheptacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69-pentatriacontacarboxylate |
|---|---|
| PubChem CID | 58122047 |
| Molecular Formula | C352H496O140 |
| Molecular Weight | 6967.70 g/mol |
| Exact Mass | 6963.17 |
| IUPAC Name | pentatriacontakis[2-(2-methylprop-2-enoyloxy)ethyl] 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69-hexatriacontamethylhenheptacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69-pentatriacontacarboxylate |
| SMILES | C=C(C)C(=O)OCCOC(=O)C(C)(C)CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C |
| InChI | InChI=1S/C352H496O140/c1-108-319(74,284(389)459-145-110-424-249(354)214(4)5)180-321(76,286(391)461-147-112-426-251(356)216(8)9)182-323(78,288(393)463-149-114-428-253(358)218(12)13)184-325(80,290(395)465-151-116-430-255(360)220(16)17)186-327(82,292(397)467-153-118-432-257(362)222(20)21)188-329(84,294(399)469-155-120-434-259(364)224(24)25)190-331(86,296(401)471-157-122-436-261(366)226(28)29)192-333(88,298(403)473-159-124-438-263(368)228(32)33)194-335(90,300(405)475-161-126-440-265(370)230(36)37)196-337(92,302(407)477-163-128-442-267(372)232(40)41)198-339(94,304(409)479-165-130-444-269(374)234(44)45)200-341(96,306(411)481-167-132-446-271(376)236(48)49)202-343(98,308(413)483-169-134-448-273(378)238(52)53)204-345(100,310(415)485-171-136-450-275(380)240(56)57)206-347(102,312(417)487-173-138-452-277(382)242(60)61)208-349(104,314(419)489-175-140-454-279(384)244(64)65)210-351(106,316(421)491-177-142-456-281(386)246(68)69)212-352(107,317(422)492-178-143-457-282(387)247(70)71)211-350(105,315(420)490-176-141-455-280(385)245(66)67)209-348(103,313(418)488-174-139-453-278(383)243(62)63)207-346(101,311(416)486-172-137-451-276(381)241(58)59)205-344(99,309(414)484-170-135-449-274(379)239(54)55)203-342(97,307(412)482-168-133-447-272(377)237(50)51)201-340(95,305(410)480-166-131-445-270(375)235(46)47)199-338(93,303(408)478-164-129-443-268(373)233(42)43)197-336(91,301(406)476-162-127-441-266(371)231(38)39)195-334(89,299(404)474-160-125-439-264(369)229(34)35)193-332(87,297(402)472-158-123-437-262(367)227(30)31)191-330(85,295(400)470-156-121-435-260(365)225(26)27)189-328(83,293(398)468-154-119-433-258(363)223(22)23)187-326(81,291(396)466-152-117-431-256(361)221(18)19)185-324(79,289(394)464-150-115-429-254(359)219(14)15)183-322(77,287(392)462-148-113-427-252(357)217(10)11)181-320(75,285(390)460-146-111-425-250(355)215(6)7)179-318(72,73)283(388)458-144-109-423-248(353)213(2)3/h2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,108-212H2,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71-107H3 |
| InChIKey | QDIMOMWCAXIPPD-UHFFFAOYSA-N |
| XLogP | 38.09 |
| TPSA | 1841.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 140 |
| Rotatable Bonds | 244 |
| Heavy Atoms | 492 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6967.70 |
| LogP ≤ 5 | 38.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 140 |