1-butan-2-yl-4-tert-butylbenzene;tetracontakis(1,1,1-trifluoropropan-2-yl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-hentetracontamethylhenoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarboxylate

C296H388F120O80 — CID 158843103

IUPAC1-butan-2-yl-4-tert-butylbenzene;tetracontakis(1,1,1-trifluoropropan-2-yl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-hentetracontamethylhenoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarboxylate
SMILESCCC(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)(CC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F.CCC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C282H366F120O80.C14H22/c1-83-204(44,164(404)444-124(3)244(286,287)288)85-206(46,166(406)446-126(5)246(292,293)294)87-208(48,168(408)448-128(7)248(298,299)300)89-210(50,170(410)450-130(9)250(304,305)306)91-212(52,172(412)452-132(11)252(310,311)312)93-214(54,174(414)454-134(13)254(316,317)318)95-216(56,176(416)456-136(15)256(322,323)324)97-218(58,178(418)458-138(17)258(328,329)330)99-220(60,180(420)460-140(19)260(334,335)336)101-222(62,182(422)462-142(21)262(340,341)342)103-224(64,184(424)464-144(23)264(346,347)348)105-226(66,186(426)466-146(25)266(352,353)354)107-228(68,188(428)468-148(27)268(358,359)360)109-230(70,190(430)470-150(29)270(364,365)366)111-232(72,192(432)472-152(31)272(370,371)372)113-234(74,194(434)474-154(33)274(376,377)378)115-236(76,196(436)476-156(35)276(382,383)384)117-238(78,198(438)478-158(37)278(388,389)390)119-240(80,200(440)480-160(39)280(394,395)396)121-242(82,202(442)482-162(41)282(400,401)402)122-241(81,201(441)481-161(40)281(397,398)399)120-239(79,199(439)479-159(38)279(391,392)393)118-237(77,197(437)477-157(36)277(385,386)387)116-235(75,195(435)475-155(34)275(379,380)381)114-233(73,193(433)473-153(32)273(373,374)375)112-231(71,191(431)471-151(30)271(367,368)369)110-229(69,189(429)469-149(28)269(361,362)363)108-227(67,187(427)467-147(26)267(355,356)357)106-225(65,185(425)465-145(24)265(349,350)351)104-223(63,183(423)463-143(22)263(343,344)345)102-221(61,181(421)461-141(20)261(337,338)339)100-219(59,179(419)459-139(18)259(331,332)333)98-217(57,177(417)457-137(16)257(325,326)327)96-215(55,175(415)455-135(14)255(319,320)321)94-213(53,173(413)453-133(12)253(313,314)315)92-211(51,171(411)451-131(10)251(307,308)309)90-209(49,169(409)449-129(8)249(301,302)303)88-207(47,167(407)447-127(6)247(295,296)297)86-205(45,165(405)445-125(4)245(289,290)291)84-203(42,43)163(403)443-123(2)243(283,284)285;1-6-11(2)12-7-9-13(10-8-12)14(3,4)5/h123-162H,83-122H2,1-82H3;7-11H,6H2,1-5H3
InChIKeyIYMNGUAJJLMLHP-UHFFFAOYSA-N
MW7506.04 g/mol
LogP81.14
Rot. Bonds161

About 1-butan-2-yl-4-tert-butylbenzene;tetracontakis(1,1,1-trifluoropropan-2-yl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-hentetracontamethylhenoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarboxylate

1-butan-2-yl-4-tert-butylbenzene;tetracontakis(1,1,1-trifluoropropan-2-yl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-hentetracontamethylhenoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarboxylate (PubChem CID 158843103) has the molecular formula C296H388F120O80 and a molecular weight of 7506.04 g/mol. Its IUPAC name is 1-butan-2-yl-4-tert-butylbenzene;tetracontakis(1,1,1-trifluoropropan-2-yl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-hentetracontamethylhenoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarboxylate.

Molecular Properties

Compound Name1-butan-2-yl-4-tert-butylbenzene;tetracontakis(1,1,1-trifluoropropan-2-yl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-hentetracontamethylhenoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarboxylate
PubChem CID158843103
Molecular FormulaC296H388F120O80
Molecular Weight7506.04 g/mol
Exact Mass7502.44
IUPAC Name1-butan-2-yl-4-tert-butylbenzene;tetracontakis(1,1,1-trifluoropropan-2-yl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-hentetracontamethylhenoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarboxylate
SMILESCCC(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)(CC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F.CCC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C282H366F120O80.C14H22/c1-83-204(44,164(404)444-124(3)244(286,287)288)85-206(46,166(406)446-126(5)246(292,293)294)87-208(48,168(408)448-128(7)248(298,299)300)89-210(50,170(410)450-130(9)250(304,305)306)91-212(52,172(412)452-132(11)252(310,311)312)93-214(54,174(414)454-134(13)254(316,317)318)95-216(56,176(416)456-136(15)256(322,323)324)97-218(58,178(418)458-138(17)258(328,329)330)99-220(60,180(420)460-140(19)260(334,335)336)101-222(62,182(422)462-142(21)262(340,341)342)103-224(64,184(424)464-144(23)264(346,347)348)105-226(66,186(426)466-146(25)266(352,353)354)107-228(68,188(428)468-148(27)268(358,359)360)109-230(70,190(430)470-150(29)270(364,365)366)111-232(72,192(432)472-152(31)272(370,371)372)113-234(74,194(434)474-154(33)274(376,377)378)115-236(76,196(436)476-156(35)276(382,383)384)117-238(78,198(438)478-158(37)278(388,389)390)119-240(80,200(440)480-160(39)280(394,395)396)121-242(82,202(442)482-162(41)282(400,401)402)122-241(81,201(441)481-161(40)281(397,398)399)120-239(79,199(439)479-159(38)279(391,392)393)118-237(77,197(437)477-157(36)277(385,386)387)116-235(75,195(435)475-155(34)275(379,380)381)114-233(73,193(433)473-153(32)273(373,374)375)112-231(71,191(431)471-151(30)271(367,368)369)110-229(69,189(429)469-149(28)269(361,362)363)108-227(67,187(427)467-147(26)267(355,356)357)106-225(65,185(425)465-145(24)265(349,350)351)104-223(63,183(423)463-143(22)263(343,344)345)102-221(61,181(421)461-141(20)261(337,338)339)100-219(59,179(419)459-139(18)259(331,332)333)98-217(57,177(417)457-137(16)257(325,326)327)96-215(55,175(415)455-135(14)255(319,320)321)94-213(53,173(413)453-133(12)253(313,314)315)92-211(51,171(411)451-131(10)251(307,308)309)90-209(49,169(409)449-129(8)249(301,302)303)88-207(47,167(407)447-127(6)247(295,296)297)86-205(45,165(405)445-125(4)245(289,290)291)84-203(42,43)163(403)443-123(2)243(283,284)285;1-6-11(2)12-7-9-13(10-8-12)14(3,4)5/h123-162H,83-122H2,1-82H3;7-11H,6H2,1-5H3
InChIKeyIYMNGUAJJLMLHP-UHFFFAOYSA-N
XLogP81.14
TPSA1052.00 Ų
H-Bond Donors
H-Bond Acceptors80
Rotatable Bonds161
Heavy Atoms496
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007506.04
LogP ≤ 581.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1080

Analyze 1-butan-2-yl-4-tert-butylbenzene;tetracontakis(1,1,1-trifluoropropan-2-yl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-hentetracontamethylhenoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl 3-[4-[3-[4-(3-ethoxy-3-oxopropyl)phenyl]-1,1,1,4,4,4-hexafluorobutan-2-yl]phenyl]propanoate
CID 134949375
Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-phenylpropyl ester
CID 91710017
Diethyl 2,4-bis(trifluoroacetyl)-3-phenylpentanedioate
CID 129879421
Ethyl 2-[(4-tert-butylphenyl)methyl]-3,3,3-trifluoropropanoate
CID 134946489
Ethyl 3-[4-(difluoromethyl)phenyl]-2,2-dimethylpropanoate
CID 134969111
trans-1-O-tert-butyl 2-O-ethyl (1R,2R)-1-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxylate
CID 135067376
[(2S)-2-(4-tert-butylbenzoyl)-5-ethoxy-4,4-difluoro-5-oxopentyl] heptanoate
CID 154708985
1-O-ethyl 5-O-methyl (3S)-2,2-difluoro-4-methylidene-3-[4-(trifluoromethyl)phenyl]pentanedioate
CID 162404650
3-Methylpentan-3-yl 9-acetyloxy-2,2-difluoro-3-(2-phenylethyl)nonanoate
CID 166438857
Marek155b (Veeru)
CID 168336268
diethyl 2-[(1R)-1-fluoro-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-2-methylpropanedioate
CID 177852929
Diethyl 1-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxylate
CID 12891363

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-tert-butylbenzene;tetracontakis(1,1,1-trifluoropropan-2-yl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-hentetracontamethylhenoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarboxylate?
The IUPAC name of 1-butan-2-yl-4-tert-butylbenzene;tetracontakis(1,1,1-trifluoropropan-2-yl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-hentetracontamethylhenoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarboxylate (CID 158843103) is 1-butan-2-yl-4-tert-butylbenzene;tetracontakis(1,1,1-trifluoropropan-2-yl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-hentetracontamethylhenoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarboxylate.
What is the SMILES notation for 1-butan-2-yl-4-tert-butylbenzene;tetracontakis(1,1,1-trifluoropropan-2-yl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-hentetracontamethylhenoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarboxylate?
The canonical SMILES for 1-butan-2-yl-4-tert-butylbenzene;tetracontakis(1,1,1-trifluoropropan-2-yl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-hentetracontamethylhenoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarboxylate is CCC(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)(CC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F)C(=O)OC(C)C(F)(F)F.CCC(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-butan-2-yl-4-tert-butylbenzene;tetracontakis(1,1,1-trifluoropropan-2-yl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-hentetracontamethylhenoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarboxylate?
The InChIKey is IYMNGUAJJLMLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C282H366F120O80.C14H22/c1-83-204(44,164(404)444-124(3)244(286,287)288)85-206(46,166(406)446-126(5)246(292,293)294)87-208(48,168(408)448-128(7)248(298,299)300)89-210(50,170(410)450-130(9)250(304,305)306)91-212(52,172(412)452-132(11)252(310,311)312)93-214(54,174(414)454-134(13)254(316,317)318)95-216(56,176(416)456-136(15)256(322,323)324)97-218(58,178(418)458-138(17)258(328,329)330)99-220(60,180(420)460-140(19)260(334,335)336)101-222(62,182(422)462-142(21)262(340,341)342)103-224(64,184(424)464-144(23)264(346,347)348)105-226(66,186(426)466-146(25)266(352,353)354)107-228(68,188(428)468-148(27)268(358,359)360)109-230(70,190(430)470-150(29)270(364,365)366)111-232(72,192(432)472-152(31)272(370,371)372)113-234(74,194(434)474-154(33)274(376,377)378)115-236(76,196(436)476-156(35)276(382,383)384)117-238(78,198(438)478-158(37)278(388,389)390)119-240(80,200(440)480-160(39)280(394,395)396)121-242(82,202(442)482-162(41)282(400,401)402)122-241(81,201(441)481-161(40)281(397,398)399)120-239(79,199(439)479-159(38)279(391,392)393)118-237(77,197(437)477-157(36)277(385,386)387)116-235(75,195(435)475-155(34)275(379,380)381)114-233(73,193(433)473-153(32)273(373,374)375)112-231(71,191(431)471-151(30)271(367,368)369)110-229(69,189(429)469-149(28)269(361,362)363)108-227(67,187(427)467-147(26)267(355,356)357)106-225(65,185(425)465-145(24)265(349,350)351)104-223(63,183(423)463-143(22)263(343,344)345)102-221(61,181(421)461-141(20)261(337,338)339)100-219(59,179(419)459-139(18)259(331,332)333)98-217(57,177(417)457-137(16)257(325,326)327)96-215(55,175(415)455-135(14)255(319,320)321)94-213(53,173(413)453-133(12)253(313,314)315)92-211(51,171(411)451-131(10)251(307,308)309)90-209(49,169(409)449-129(8)249(301,302)303)88-207(47,167(407)447-127(6)247(295,296)297)86-205(45,165(405)445-125(4)245(289,290)291)84-203(42,43)163(403)443-123(2)243(283,284)285;1-6-11(2)12-7-9-13(10-8-12)14(3,4)5/h123-162H,83-122H2,1-82H3;7-11H,6H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-tert-butylbenzene;tetracontakis(1,1,1-trifluoropropan-2-yl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-hentetracontamethylhenoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarboxylate?
1-butan-2-yl-4-tert-butylbenzene;tetracontakis(1,1,1-trifluoropropan-2-yl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-hentetracontamethylhenoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarboxylate has a molecular weight of 7506.04 g/mol, XLogP of 81.14, 161 rotatable bonds, 0 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-tert-butylbenzene;tetracontakis(1,1,1-trifluoropropan-2-yl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-hentetracontamethylhenoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarboxylate is sourced from PubChem (CID 158843103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).