triacontakis[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-hentriacontamethylhenhexacontane-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-triacontacarboxylate

C302H426O120 — CID 58122059

About triacontakis[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-hentriacontamethylhenhexacontane-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-triacontacarboxylate

triacontakis[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-hentriacontamethylhenhexacontane-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-triacontacarboxylate (PubChem CID 58122059) has the molecular formula C302H426O120 and a molecular weight of 5976.61 g/mol. Its IUPAC name is triacontakis[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-hentriacontamethylhenhexacontane-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-triacontacarboxylate.

Molecular Properties

• Compound Name: triacontakis[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-hentriacontamethylhenhexacontane-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-triacontacarboxylate
• PubChem CID: 58122059
• Molecular Formula: C302H426O120
• Molecular Weight: 5976.61 g/mol
• Exact Mass: 5972.72
• IUPAC Name: triacontakis[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-hentriacontamethylhenhexacontane-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-triacontacarboxylate
• 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(=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/C302H426O120/c1-93-274(64,244(334)394-125-95-364-214(304)184(4)5)155-276(66,246(336)396-127-97-366-216(306)186(8)9)157-278(68,248(338)398-129-99-368-218(308)188(12)13)159-280(70,250(340)400-131-101-370-220(310)190(16)17)161-282(72,252(342)402-133-103-372-222(312)192(20)21)163-284(74,254(344)404-135-105-374-224(314)194(24)25)165-286(76,256(346)406-137-107-376-226(316)196(28)29)167-288(78,258(348)408-139-109-378-228(318)198(32)33)169-290(80,260(350)410-141-111-380-230(320)200(36)37)171-292(82,262(352)412-143-113-382-232(322)202(40)41)173-294(84,264(354)414-145-115-384-234(324)204(44)45)175-296(86,266(356)416-147-117-386-236(326)206(48)49)177-298(88,268(358)418-149-119-388-238(328)208(52)53)179-300(90,270(360)420-151-121-390-240(330)210(56)57)181-302(92,272(362)422-153-123-392-242(332)212(60)61)182-301(91,271(361)421-152-122-391-241(331)211(58)59)180-299(89,269(359)419-150-120-389-239(329)209(54)55)178-297(87,267(357)417-148-118-387-237(327)207(50)51)176-295(85,265(355)415-146-116-385-235(325)205(46)47)174-293(83,263(353)413-144-114-383-233(323)203(42)43)172-291(81,261(351)411-142-112-381-231(321)201(38)39)170-289(79,259(349)409-140-110-379-229(319)199(34)35)168-287(77,257(347)407-138-108-377-227(317)197(30)31)166-285(75,255(345)405-136-106-375-225(315)195(26)27)164-283(73,253(343)403-134-104-373-223(313)193(22)23)162-281(71,251(341)401-132-102-371-221(311)191(18)19)160-279(69,249(339)399-130-100-369-219(309)189(14)15)158-277(67,247(337)397-128-98-367-217(307)187(10)11)156-275(65,245(335)395-126-96-365-215(305)185(6)7)154-273(62,63)243(333)393-124-94-363-213(303)183(2)3/h2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,93-182H2,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61-92H3
• InChIKey: TVQNFXZJFSVFMQ-UHFFFAOYSA-N
• XLogP: 32.79
• TPSA: 1578.00 Ų
• H-Bond Acceptors: 120
• Rotatable Bonds: 209
• Heavy Atoms: 422
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5976.61
LogP ≤ 5	32.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	120

Frequently Asked Questions

What is the IUPAC name of triacontakis[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-hentriacontamethylhenhexacontane-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-triacontacarboxylate?

The IUPAC name of triacontakis[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-hentriacontamethylhenhexacontane-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-triacontacarboxylate (CID 58122059) is triacontakis[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-hentriacontamethylhenhexacontane-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-triacontacarboxylate.

What is the SMILES notation for triacontakis[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-hentriacontamethylhenhexacontane-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-triacontacarboxylate?

The canonical SMILES for triacontakis[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-hentriacontamethylhenhexacontane-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-triacontacarboxylate is 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(=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.

What is the InChIKey of triacontakis[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-hentriacontamethylhenhexacontane-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-triacontacarboxylate?

The InChIKey is TVQNFXZJFSVFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C302H426O120/c1-93-274(64,244(334)394-125-95-364-214(304)184(4)5)155-276(66,246(336)396-127-97-366-216(306)186(8)9)157-278(68,248(338)398-129-99-368-218(308)188(12)13)159-280(70,250(340)400-131-101-370-220(310)190(16)17)161-282(72,252(342)402-133-103-372-222(312)192(20)21)163-284(74,254(344)404-135-105-374-224(314)194(24)25)165-286(76,256(346)406-137-107-376-226(316)196(28)29)167-288(78,258(348)408-139-109-378-228(318)198(32)33)169-290(80,260(350)410-141-111-380-230(320)200(36)37)171-292(82,262(352)412-143-113-382-232(322)202(40)41)173-294(84,264(354)414-145-115-384-234(324)204(44)45)175-296(86,266(356)416-147-117-386-236(326)206(48)49)177-298(88,268(358)418-149-119-388-238(328)208(52)53)179-300(90,270(360)420-151-121-390-240(330)210(56)57)181-302(92,272(362)422-153-123-392-242(332)212(60)61)182-301(91,271(361)421-152-122-391-241(331)211(58)59)180-299(89,269(359)419-150-120-389-239(329)209(54)55)178-297(87,267(357)417-148-118-387-237(327)207(50)51)176-295(85,265(355)415-146-116-385-235(325)205(46)47)174-293(83,263(353)413-144-114-383-233(323)203(42)43)172-291(81,261(351)411-142-112-381-231(321)201(38)39)170-289(79,259(349)409-140-110-379-229(319)199(34)35)168-287(77,257(347)407-138-108-377-227(317)197(30)31)166-285(75,255(345)405-136-106-375-225(315)195(26)27)164-283(73,253(343)403-134-104-373-223(313)193(22)23)162-281(71,251(341)401-132-102-371-221(311)191(18)19)160-279(69,249(339)399-130-100-369-219(309)189(14)15)158-277(67,247(337)397-128-98-367-217(307)187(10)11)156-275(65,245(335)395-126-96-365-215(305)185(6)7)154-273(62,63)243(333)393-124-94-363-213(303)183(2)3/h2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,93-182H2,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61-92H3.

What are the key properties of triacontakis[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-hentriacontamethylhenhexacontane-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-triacontacarboxylate?

triacontakis[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-hentriacontamethylhenhexacontane-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-triacontacarboxylate has a molecular weight of 5976.61 g/mol, XLogP of 32.79, 209 rotatable bonds, 0 hydrogen bond donors, and 120 hydrogen bond acceptors.

Where does this data come from?

All data for triacontakis[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-hentriacontamethylhenhexacontane-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-triacontacarboxylate is sourced from PubChem (CID 58122059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).