triacontakis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 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

C332H486O150 — CID 58091825

IUPACtriacontakis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 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
SMILESC=C(C)C(=O)OCC(O)COC(=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)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C
InChIInChI=1S/C332H486O150/c1-93-304(64,274(394)454-125-214(334)95-424-244(364)184(4)5)155-306(66,276(396)456-127-216(336)97-426-246(366)186(8)9)157-308(68,278(398)458-129-218(338)99-428-248(368)188(12)13)159-310(70,280(400)460-131-220(340)101-430-250(370)190(16)17)161-312(72,282(402)462-133-222(342)103-432-252(372)192(20)21)163-314(74,284(404)464-135-224(344)105-434-254(374)194(24)25)165-316(76,286(406)466-137-226(346)107-436-256(376)196(28)29)167-318(78,288(408)468-139-228(348)109-438-258(378)198(32)33)169-320(80,290(410)470-141-230(350)111-440-260(380)200(36)37)171-322(82,292(412)472-143-232(352)113-442-262(382)202(40)41)173-324(84,294(414)474-145-234(354)115-444-264(384)204(44)45)175-326(86,296(416)476-147-236(356)117-446-266(386)206(48)49)177-328(88,298(418)478-149-238(358)119-448-268(388)208(52)53)179-330(90,300(420)480-151-240(360)121-450-270(390)210(56)57)181-332(92,302(422)482-153-242(362)123-452-272(392)212(60)61)182-331(91,301(421)481-152-241(361)122-451-271(391)211(58)59)180-329(89,299(419)479-150-239(359)120-449-269(389)209(54)55)178-327(87,297(417)477-148-237(357)118-447-267(387)207(50)51)176-325(85,295(415)475-146-235(355)116-445-265(385)205(46)47)174-323(83,293(413)473-144-233(353)114-443-263(383)203(42)43)172-321(81,291(411)471-142-231(351)112-441-261(381)201(38)39)170-319(79,289(409)469-140-229(349)110-439-259(379)199(34)35)168-317(77,287(407)467-138-227(347)108-437-257(377)197(30)31)166-315(75,285(405)465-136-225(345)106-435-255(375)195(26)27)164-313(73,283(403)463-134-223(343)104-433-253(373)193(22)23)162-311(71,281(401)461-132-221(341)102-431-251(371)191(18)19)160-309(69,279(399)459-130-219(339)100-429-249(369)189(14)15)158-307(67,277(397)457-128-217(337)98-427-247(367)187(10)11)156-305(65,275(395)455-126-215(335)96-425-245(365)185(6)7)154-303(62,63)273(393)453-124-213(333)94-423-243(363)183(2)3/h213-242,333-362H,2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,93-182H2,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61-92H3
InChIKeyMMGIUSLEBSSHJO-UHFFFAOYSA-N
MW6877.39 g/mol
LogP13.62
Rot. Bonds239

About triacontakis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 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-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 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 58091825) has the molecular formula C332H486O150 and a molecular weight of 6877.39 g/mol. Its IUPAC name is triacontakis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 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 Nametriacontakis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 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 CID58091825
Molecular FormulaC332H486O150
Molecular Weight6877.39 g/mol
Exact Mass6873.04
IUPAC Nametriacontakis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 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
SMILESC=C(C)C(=O)OCC(O)COC(=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)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C
InChIInChI=1S/C332H486O150/c1-93-304(64,274(394)454-125-214(334)95-424-244(364)184(4)5)155-306(66,276(396)456-127-216(336)97-426-246(366)186(8)9)157-308(68,278(398)458-129-218(338)99-428-248(368)188(12)13)159-310(70,280(400)460-131-220(340)101-430-250(370)190(16)17)161-312(72,282(402)462-133-222(342)103-432-252(372)192(20)21)163-314(74,284(404)464-135-224(344)105-434-254(374)194(24)25)165-316(76,286(406)466-137-226(346)107-436-256(376)196(28)29)167-318(78,288(408)468-139-228(348)109-438-258(378)198(32)33)169-320(80,290(410)470-141-230(350)111-440-260(380)200(36)37)171-322(82,292(412)472-143-232(352)113-442-262(382)202(40)41)173-324(84,294(414)474-145-234(354)115-444-264(384)204(44)45)175-326(86,296(416)476-147-236(356)117-446-266(386)206(48)49)177-328(88,298(418)478-149-238(358)119-448-268(388)208(52)53)179-330(90,300(420)480-151-240(360)121-450-270(390)210(56)57)181-332(92,302(422)482-153-242(362)123-452-272(392)212(60)61)182-331(91,301(421)481-152-241(361)122-451-271(391)211(58)59)180-329(89,299(419)479-150-239(359)120-449-269(389)209(54)55)178-327(87,297(417)477-148-237(357)118-447-267(387)207(50)51)176-325(85,295(415)475-146-235(355)116-445-265(385)205(46)47)174-323(83,293(413)473-144-233(353)114-443-263(383)203(42)43)172-321(81,291(411)471-142-231(351)112-441-261(381)201(38)39)170-319(79,289(409)469-140-229(349)110-439-259(379)199(34)35)168-317(77,287(407)467-138-227(347)108-437-257(377)197(30)31)166-315(75,285(405)465-136-225(345)106-435-255(375)195(26)27)164-313(73,283(403)463-134-223(343)104-433-253(373)193(22)23)162-311(71,281(401)461-132-221(341)102-431-251(371)191(18)19)160-309(69,279(399)459-130-219(339)100-429-249(369)189(14)15)158-307(67,277(397)457-128-217(337)98-427-247(367)187(10)11)156-305(65,275(395)455-126-215(335)96-425-245(365)185(6)7)154-303(62,63)273(393)453-124-213(333)94-423-243(363)183(2)3/h213-242,333-362H,2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,93-182H2,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61-92H3
InChIKeyMMGIUSLEBSSHJO-UHFFFAOYSA-N
XLogP13.62
TPSA2184.90 Ų
H-Bond Donors30
H-Bond Acceptors150
Rotatable Bonds239
Heavy Atoms482
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006877.39
LogP ≤ 513.62
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 10150

Analyze triacontakis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of triacontakis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 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-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 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 58091825) is triacontakis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 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-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 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-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 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)OCC(O)COC(=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)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C)C(=O)OCC(O)COC(=O)C(=C)C.
What is the InChIKey of triacontakis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 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 MMGIUSLEBSSHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C332H486O150/c1-93-304(64,274(394)454-125-214(334)95-424-244(364)184(4)5)155-306(66,276(396)456-127-216(336)97-426-246(366)186(8)9)157-308(68,278(398)458-129-218(338)99-428-248(368)188(12)13)159-310(70,280(400)460-131-220(340)101-430-250(370)190(16)17)161-312(72,282(402)462-133-222(342)103-432-252(372)192(20)21)163-314(74,284(404)464-135-224(344)105-434-254(374)194(24)25)165-316(76,286(406)466-137-226(346)107-436-256(376)196(28)29)167-318(78,288(408)468-139-228(348)109-438-258(378)198(32)33)169-320(80,290(410)470-141-230(350)111-440-260(380)200(36)37)171-322(82,292(412)472-143-232(352)113-442-262(382)202(40)41)173-324(84,294(414)474-145-234(354)115-444-264(384)204(44)45)175-326(86,296(416)476-147-236(356)117-446-266(386)206(48)49)177-328(88,298(418)478-149-238(358)119-448-268(388)208(52)53)179-330(90,300(420)480-151-240(360)121-450-270(390)210(56)57)181-332(92,302(422)482-153-242(362)123-452-272(392)212(60)61)182-331(91,301(421)481-152-241(361)122-451-271(391)211(58)59)180-329(89,299(419)479-150-239(359)120-449-269(389)209(54)55)178-327(87,297(417)477-148-237(357)118-447-267(387)207(50)51)176-325(85,295(415)475-146-235(355)116-445-265(385)205(46)47)174-323(83,293(413)473-144-233(353)114-443-263(383)203(42)43)172-321(81,291(411)471-142-231(351)112-441-261(381)201(38)39)170-319(79,289(409)469-140-229(349)110-439-259(379)199(34)35)168-317(77,287(407)467-138-227(347)108-437-257(377)197(30)31)166-315(75,285(405)465-136-225(345)106-435-255(375)195(26)27)164-313(73,283(403)463-134-223(343)104-433-253(373)193(22)23)162-311(71,281(401)461-132-221(341)102-431-251(371)191(18)19)160-309(69,279(399)459-130-219(339)100-429-249(369)189(14)15)158-307(67,277(397)457-128-217(337)98-427-247(367)187(10)11)156-305(65,275(395)455-126-215(335)96-425-245(365)185(6)7)154-303(62,63)273(393)453-124-213(333)94-423-243(363)183(2)3/h213-242,333-362H,2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,93-182H2,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61-92H3.
What are the key properties of triacontakis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 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-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 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 6877.39 g/mol, XLogP of 13.62, 239 rotatable bonds, 30 hydrogen bond donors, and 150 hydrogen bond acceptors.
Where does this data come from?
All data for triacontakis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 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 58091825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).