benzyl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;dimethyl 3-ethyl-5-methyloxane-3,5-dicarboxylate;methyl 2,2-dimethylbutanoate;pentacosakis[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-hexacosamethylhenpentacontane-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-pentacosacarboxylate

C315H470O136 — CID 157124982

IUPACbenzyl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;dimethyl 3-ethyl-5-methyloxane-3,5-dicarboxylate;methyl 2,2-dimethylbutanoate;pentacosakis[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-hexacosamethylhenpentacontane-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-pentacosacarboxylate
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(=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.CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OCc1ccccc1.CCC1(C(=O)OC)COCC(C)(C(=O)OC)C1
InChIInChI=1S/C277H406O125.C13H18O2.C12H20O5.C7H14O2.C6H12O2/c1-78-254(54,229(329)379-105-179(279)80-354-204(304)154(4)5)130-256(56,231(331)381-107-181(281)82-356-206(306)156(8)9)132-258(58,233(333)383-109-183(283)84-358-208(308)158(12)13)134-260(60,235(335)385-111-185(285)86-360-210(310)160(16)17)136-262(62,237(337)387-113-187(287)88-362-212(312)162(20)21)138-264(64,239(339)389-115-189(289)90-364-214(314)164(24)25)140-266(66,241(341)391-117-191(291)92-366-216(316)166(28)29)142-268(68,243(343)393-119-193(293)94-368-218(318)168(32)33)144-270(70,245(345)395-121-195(295)96-370-220(320)170(36)37)146-272(72,247(347)397-123-197(297)98-372-222(322)172(40)41)148-274(74,249(349)399-125-199(299)100-374-224(324)174(44)45)150-276(76,251(351)401-127-201(301)102-376-226(326)176(48)49)152-277(77,252(352)402-128-202(302)103-377-227(327)177(50)51)151-275(75,250(350)400-126-200(300)101-375-225(325)175(46)47)149-273(73,248(348)398-124-198(298)99-373-223(323)173(42)43)147-271(71,246(346)396-122-196(296)97-371-221(321)171(38)39)145-269(69,244(344)394-120-194(294)95-369-219(319)169(34)35)143-267(67,242(342)392-118-192(292)93-367-217(317)167(30)31)141-265(65,240(340)390-116-190(290)91-365-215(315)165(26)27)139-263(63,238(338)388-114-188(288)89-363-213(313)163(22)23)137-261(61,236(336)386-112-186(286)87-361-211(311)161(18)19)135-259(59,234(334)384-110-184(284)85-359-209(309)159(14)15)133-257(57,232(332)382-108-182(282)83-357-207(307)157(10)11)131-255(55,230(330)380-106-180(280)81-355-205(305)155(6)7)129-253(52,53)228(328)378-104-178(278)79-353-203(303)153(2)3;1-4-13(2,3)12(14)15-10-11-8-6-5-7-9-11;1-5-12(10(14)16-4)6-11(2,7-17-8-12)9(13)15-3;1-5-7(2,3)6(8)9-4;1-4-6(2,3)5(7)8/h178-202,278-302H,2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,78-152H2,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-77H3;5-9H,4,10H2,1-3H3;5-8H2,1-4H3;5H2,1-4H3;4H2,1-3H3,(H,7,8)
InChIKeyAIKBYZQONACUJS-UHFFFAOYSA-N
MW6433.09 g/mol
LogP18.95
Rot. Bonds210

About benzyl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;dimethyl 3-ethyl-5-methyloxane-3,5-dicarboxylate;methyl 2,2-dimethylbutanoate;pentacosakis[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-hexacosamethylhenpentacontane-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-pentacosacarboxylate

benzyl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;dimethyl 3-ethyl-5-methyloxane-3,5-dicarboxylate;methyl 2,2-dimethylbutanoate;pentacosakis[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-hexacosamethylhenpentacontane-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-pentacosacarboxylate (PubChem CID 157124982) has the molecular formula C315H470O136 and a molecular weight of 6433.09 g/mol. Its IUPAC name is benzyl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;dimethyl 3-ethyl-5-methyloxane-3,5-dicarboxylate;methyl 2,2-dimethylbutanoate;pentacosakis[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-hexacosamethylhenpentacontane-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-pentacosacarboxylate.

Molecular Properties

Compound Namebenzyl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;dimethyl 3-ethyl-5-methyloxane-3,5-dicarboxylate;methyl 2,2-dimethylbutanoate;pentacosakis[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-hexacosamethylhenpentacontane-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-pentacosacarboxylate
PubChem CID157124982
Molecular FormulaC315H470O136
Molecular Weight6433.09 g/mol
Exact Mass6428.99
IUPAC Namebenzyl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;dimethyl 3-ethyl-5-methyloxane-3,5-dicarboxylate;methyl 2,2-dimethylbutanoate;pentacosakis[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-hexacosamethylhenpentacontane-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-pentacosacarboxylate
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(=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.CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OCc1ccccc1.CCC1(C(=O)OC)COCC(C)(C(=O)OC)C1
InChIInChI=1S/C277H406O125.C13H18O2.C12H20O5.C7H14O2.C6H12O2/c1-78-254(54,229(329)379-105-179(279)80-354-204(304)154(4)5)130-256(56,231(331)381-107-181(281)82-356-206(306)156(8)9)132-258(58,233(333)383-109-183(283)84-358-208(308)158(12)13)134-260(60,235(335)385-111-185(285)86-360-210(310)160(16)17)136-262(62,237(337)387-113-187(287)88-362-212(312)162(20)21)138-264(64,239(339)389-115-189(289)90-364-214(314)164(24)25)140-266(66,241(341)391-117-191(291)92-366-216(316)166(28)29)142-268(68,243(343)393-119-193(293)94-368-218(318)168(32)33)144-270(70,245(345)395-121-195(295)96-370-220(320)170(36)37)146-272(72,247(347)397-123-197(297)98-372-222(322)172(40)41)148-274(74,249(349)399-125-199(299)100-374-224(324)174(44)45)150-276(76,251(351)401-127-201(301)102-376-226(326)176(48)49)152-277(77,252(352)402-128-202(302)103-377-227(327)177(50)51)151-275(75,250(350)400-126-200(300)101-375-225(325)175(46)47)149-273(73,248(348)398-124-198(298)99-373-223(323)173(42)43)147-271(71,246(346)396-122-196(296)97-371-221(321)171(38)39)145-269(69,244(344)394-120-194(294)95-369-219(319)169(34)35)143-267(67,242(342)392-118-192(292)93-367-217(317)167(30)31)141-265(65,240(340)390-116-190(290)91-365-215(315)165(26)27)139-263(63,238(338)388-114-188(288)89-363-213(313)163(22)23)137-261(61,236(336)386-112-186(286)87-361-211(311)161(18)19)135-259(59,234(334)384-110-184(284)85-359-209(309)159(14)15)133-257(57,232(332)382-108-182(282)83-357-207(307)157(10)11)131-255(55,230(330)380-106-180(280)81-355-205(305)155(6)7)129-253(52,53)228(328)378-104-178(278)79-353-203(303)153(2)3;1-4-13(2,3)12(14)15-10-11-8-6-5-7-9-11;1-5-12(10(14)16-4)6-11(2,7-17-8-12)9(13)15-3;1-5-7(2,3)6(8)9-4;1-4-6(2,3)5(7)8/h178-202,278-302H,2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,78-152H2,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-77H3;5-9H,4,10H2,1-3H3;5-8H2,1-4H3;5H2,1-4H3;4H2,1-3H3,(H,7,8)
InChIKeyAIKBYZQONACUJS-UHFFFAOYSA-N
XLogP18.95
TPSA1972.48 Ų
H-Bond Donors26
H-Bond Acceptors135
Rotatable Bonds210
Heavy Atoms451
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006433.09
LogP ≤ 518.95
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 10135

Analyze benzyl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;dimethyl 3-ethyl-5-methyloxane-3,5-dicarboxylate;methyl 2,2-dimethylbutanoate;pentacosakis[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-hexacosamethylhenpentacontane-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-pentacosacarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;dimethyl 3-ethyl-5-methyloxane-3,5-dicarboxylate;methyl 2,2-dimethylbutanoate;pentacosakis[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-hexacosamethylhenpentacontane-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-pentacosacarboxylate?
The IUPAC name of benzyl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;dimethyl 3-ethyl-5-methyloxane-3,5-dicarboxylate;methyl 2,2-dimethylbutanoate;pentacosakis[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-hexacosamethylhenpentacontane-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-pentacosacarboxylate (CID 157124982) is benzyl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;dimethyl 3-ethyl-5-methyloxane-3,5-dicarboxylate;methyl 2,2-dimethylbutanoate;pentacosakis[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-hexacosamethylhenpentacontane-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-pentacosacarboxylate.
What is the SMILES notation for benzyl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;dimethyl 3-ethyl-5-methyloxane-3,5-dicarboxylate;methyl 2,2-dimethylbutanoate;pentacosakis[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-hexacosamethylhenpentacontane-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-pentacosacarboxylate?
The canonical SMILES for benzyl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;dimethyl 3-ethyl-5-methyloxane-3,5-dicarboxylate;methyl 2,2-dimethylbutanoate;pentacosakis[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-hexacosamethylhenpentacontane-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-pentacosacarboxylate 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(=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.CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OCc1ccccc1.CCC1(C(=O)OC)COCC(C)(C(=O)OC)C1.
What is the InChIKey of benzyl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;dimethyl 3-ethyl-5-methyloxane-3,5-dicarboxylate;methyl 2,2-dimethylbutanoate;pentacosakis[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-hexacosamethylhenpentacontane-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-pentacosacarboxylate?
The InChIKey is AIKBYZQONACUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C277H406O125.C13H18O2.C12H20O5.C7H14O2.C6H12O2/c1-78-254(54,229(329)379-105-179(279)80-354-204(304)154(4)5)130-256(56,231(331)381-107-181(281)82-356-206(306)156(8)9)132-258(58,233(333)383-109-183(283)84-358-208(308)158(12)13)134-260(60,235(335)385-111-185(285)86-360-210(310)160(16)17)136-262(62,237(337)387-113-187(287)88-362-212(312)162(20)21)138-264(64,239(339)389-115-189(289)90-364-214(314)164(24)25)140-266(66,241(341)391-117-191(291)92-366-216(316)166(28)29)142-268(68,243(343)393-119-193(293)94-368-218(318)168(32)33)144-270(70,245(345)395-121-195(295)96-370-220(320)170(36)37)146-272(72,247(347)397-123-197(297)98-372-222(322)172(40)41)148-274(74,249(349)399-125-199(299)100-374-224(324)174(44)45)150-276(76,251(351)401-127-201(301)102-376-226(326)176(48)49)152-277(77,252(352)402-128-202(302)103-377-227(327)177(50)51)151-275(75,250(350)400-126-200(300)101-375-225(325)175(46)47)149-273(73,248(348)398-124-198(298)99-373-223(323)173(42)43)147-271(71,246(346)396-122-196(296)97-371-221(321)171(38)39)145-269(69,244(344)394-120-194(294)95-369-219(319)169(34)35)143-267(67,242(342)392-118-192(292)93-367-217(317)167(30)31)141-265(65,240(340)390-116-190(290)91-365-215(315)165(26)27)139-263(63,238(338)388-114-188(288)89-363-213(313)163(22)23)137-261(61,236(336)386-112-186(286)87-361-211(311)161(18)19)135-259(59,234(334)384-110-184(284)85-359-209(309)159(14)15)133-257(57,232(332)382-108-182(282)83-357-207(307)157(10)11)131-255(55,230(330)380-106-180(280)81-355-205(305)155(6)7)129-253(52,53)228(328)378-104-178(278)79-353-203(303)153(2)3;1-4-13(2,3)12(14)15-10-11-8-6-5-7-9-11;1-5-12(10(14)16-4)6-11(2,7-17-8-12)9(13)15-3;1-5-7(2,3)6(8)9-4;1-4-6(2,3)5(7)8/h178-202,278-302H,2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,78-152H2,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-77H3;5-9H,4,10H2,1-3H3;5-8H2,1-4H3;5H2,1-4H3;4H2,1-3H3,(H,7,8).
What are the key properties of benzyl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;dimethyl 3-ethyl-5-methyloxane-3,5-dicarboxylate;methyl 2,2-dimethylbutanoate;pentacosakis[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-hexacosamethylhenpentacontane-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-pentacosacarboxylate?
benzyl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;dimethyl 3-ethyl-5-methyloxane-3,5-dicarboxylate;methyl 2,2-dimethylbutanoate;pentacosakis[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-hexacosamethylhenpentacontane-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-pentacosacarboxylate has a molecular weight of 6433.09 g/mol, XLogP of 18.95, 210 rotatable bonds, 26 hydrogen bond donors, and 135 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;dimethyl 3-ethyl-5-methyloxane-3,5-dicarboxylate;methyl 2,2-dimethylbutanoate;pentacosakis[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-hexacosamethylhenpentacontane-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-pentacosacarboxylate is sourced from PubChem (CID 157124982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).