2-ethyl-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-triacontakis(2-hydroxypropoxycarbonyl)-4-(2-methoxyethoxycarbonyl)-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,68-tritriacontamethyl-69-[(2-methylpropan-2-yl)oxy]-69-oxo-6-phenylmethoxycarbonylnonahexacontanoic acid;methane

C244H422O99 — CID 163489410

IUPAC2-ethyl-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-triacontakis(2-hydroxypropoxycarbonyl)-4-(2-methoxyethoxycarbonyl)-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,68-tritriacontamethyl-69-[(2-methylpropan-2-yl)oxy]-69-oxo-6-phenylmethoxycarbonylnonahexacontanoic acid;methane
SMILESC.C.C.C.CCC(CC(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)C)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCc1ccccc1)C(=O)OCCOC)C(=O)O
InChIInChI=1S/C240H406O99.4CH4/c1-69-172(174(271)272)77-173(175(273)307-76-75-306-68)78-210(37,177(275)338-109-171-73-71-70-72-74-171)111-212(39,179(277)309-80-142(3)242)113-214(41,181(279)311-82-144(5)244)115-216(43,183(281)313-84-146(7)246)117-218(45,185(283)315-86-148(9)248)119-220(47,187(285)317-88-150(11)250)121-222(49,189(287)319-90-152(13)252)123-224(51,191(289)321-92-154(15)254)125-226(53,193(291)323-94-156(17)256)127-228(55,195(293)325-96-158(19)258)129-230(57,197(295)327-98-160(21)260)131-232(59,199(297)329-100-162(23)262)133-234(61,201(299)331-102-164(25)264)135-236(63,203(301)333-104-166(27)266)137-238(65,205(303)335-106-168(29)268)139-240(67,207(305)337-108-170(31)270)140-239(66,206(304)336-107-169(30)269)138-237(64,204(302)334-105-167(28)267)136-235(62,202(300)332-103-165(26)265)134-233(60,200(298)330-101-163(24)263)132-231(58,198(296)328-99-161(22)261)130-229(56,196(294)326-97-159(20)259)128-227(54,194(292)324-95-157(18)257)126-225(52,192(290)322-93-155(16)255)124-223(50,190(288)320-91-153(14)253)122-221(48,188(286)318-89-151(12)251)120-219(46,186(284)316-87-149(10)249)118-217(44,184(282)314-85-147(8)247)116-215(42,182(280)312-83-145(6)245)114-213(40,180(278)310-81-143(4)243)112-211(38,178(276)308-79-141(2)241)110-209(35,36)176(274)339-208(32,33)34;;;;/h70-74,141-170,172-173,241-270H,69,75-140H2,1-68H3,(H,271,272);4*1H4
InChIKeyCLHMAWWLBDHESU-UHFFFAOYSA-N
MW4939.96 g/mol
LogP17.35
Rot. Bonds166

About 2-ethyl-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-triacontakis(2-hydroxypropoxycarbonyl)-4-(2-methoxyethoxycarbonyl)-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,68-tritriacontamethyl-69-[(2-methylpropan-2-yl)oxy]-69-oxo-6-phenylmethoxycarbonylnonahexacontanoic acid;methane

2-ethyl-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-triacontakis(2-hydroxypropoxycarbonyl)-4-(2-methoxyethoxycarbonyl)-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,68-tritriacontamethyl-69-[(2-methylpropan-2-yl)oxy]-69-oxo-6-phenylmethoxycarbonylnonahexacontanoic acid;methane (PubChem CID 163489410) has the molecular formula C244H422O99 and a molecular weight of 4939.96 g/mol. Its IUPAC name is 2-ethyl-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-triacontakis(2-hydroxypropoxycarbonyl)-4-(2-methoxyethoxycarbonyl)-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,68-tritriacontamethyl-69-[(2-methylpropan-2-yl)oxy]-69-oxo-6-phenylmethoxycarbonylnonahexacontanoic acid;methane.

Molecular Properties

Compound Name2-ethyl-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-triacontakis(2-hydroxypropoxycarbonyl)-4-(2-methoxyethoxycarbonyl)-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,68-tritriacontamethyl-69-[(2-methylpropan-2-yl)oxy]-69-oxo-6-phenylmethoxycarbonylnonahexacontanoic acid;methane
PubChem CID163489410
Molecular FormulaC244H422O99
Molecular Weight4939.96 g/mol
Exact Mass4936.80
IUPAC Name2-ethyl-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-triacontakis(2-hydroxypropoxycarbonyl)-4-(2-methoxyethoxycarbonyl)-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,68-tritriacontamethyl-69-[(2-methylpropan-2-yl)oxy]-69-oxo-6-phenylmethoxycarbonylnonahexacontanoic acid;methane
SMILESC.C.C.C.CCC(CC(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)C)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCc1ccccc1)C(=O)OCCOC)C(=O)O
InChIInChI=1S/C240H406O99.4CH4/c1-69-172(174(271)272)77-173(175(273)307-76-75-306-68)78-210(37,177(275)338-109-171-73-71-70-72-74-171)111-212(39,179(277)309-80-142(3)242)113-214(41,181(279)311-82-144(5)244)115-216(43,183(281)313-84-146(7)246)117-218(45,185(283)315-86-148(9)248)119-220(47,187(285)317-88-150(11)250)121-222(49,189(287)319-90-152(13)252)123-224(51,191(289)321-92-154(15)254)125-226(53,193(291)323-94-156(17)256)127-228(55,195(293)325-96-158(19)258)129-230(57,197(295)327-98-160(21)260)131-232(59,199(297)329-100-162(23)262)133-234(61,201(299)331-102-164(25)264)135-236(63,203(301)333-104-166(27)266)137-238(65,205(303)335-106-168(29)268)139-240(67,207(305)337-108-170(31)270)140-239(66,206(304)336-107-169(30)269)138-237(64,204(302)334-105-167(28)267)136-235(62,202(300)332-103-165(26)265)134-233(60,200(298)330-101-163(24)263)132-231(58,198(296)328-99-161(22)261)130-229(56,196(294)326-97-159(20)259)128-227(54,194(292)324-95-157(18)257)126-225(52,192(290)322-93-155(16)255)124-223(50,190(288)320-91-153(14)253)122-221(48,188(286)318-89-151(12)251)120-219(46,186(284)316-87-149(10)249)118-217(44,184(282)314-85-147(8)247)116-215(42,182(280)312-83-145(6)245)114-213(40,180(278)310-81-143(4)243)112-211(38,178(276)308-79-141(2)241)110-209(35,36)176(274)339-208(32,33)34;;;;/h70-74,141-170,172-173,241-270H,69,75-140H2,1-68H3,(H,271,272);4*1H4
InChIKeyCLHMAWWLBDHESU-UHFFFAOYSA-N
XLogP17.35
TPSA1521.33 Ų
H-Bond Donors31
H-Bond Acceptors98
Rotatable Bonds166
Heavy Atoms343
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004939.96
LogP ≤ 517.35
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1098

Analyze 2-ethyl-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-triacontakis(2-hydroxypropoxycarbonyl)-4-(2-methoxyethoxycarbonyl)-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,68-tritriacontamethyl-69-[(2-methylpropan-2-yl)oxy]-69-oxo-6-phenylmethoxycarbonylnonahexacontanoic acid;methane with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-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-triacontakis(2-hydroxypropoxycarbonyl)-4-(2-methoxyethoxycarbonyl)-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,68-tritriacontamethyl-69-[(2-methylpropan-2-yl)oxy]-69-oxo-6-phenylmethoxycarbonylnonahexacontanoic acid
CID 123255978
4-[(1,2-dimethyl-7-tricyclo[3.2.0.02,7]heptanyl)oxycarbonyl]-2-ethyl-8-(2-hydroxypropoxycarbonyl)-2,4,6,8,10-pentamethyl-11-[(2-methylpropan-2-yl)oxy]-11-oxo-6-phenylmethoxycarbonylundecanoic acid
CID 163678453
tert-butyl (2R)-2-(phenylmethoxymethyl)butanoate
CID 134963822
4-O-benzyl 1-O-tert-butyl 2-amino-3-hydroxybutanedioate
CID 167202522
tert-butyl 4-methoxy-2,2-dimethyl-5-phenylmethoxypentanoate
CID 172759732
benzyl 2,2-dimethyl-4-phenylhexanoate
CID 20596745
1-O,1-O,1-O-tribenzyl 2-O-tert-butyl (2R)-4-methylpentane-1,1,1,2-tetracarboxylate
CID 151930910
1-O-benzyl 8-O-tert-butyl 2-ethyloctanedioate
CID 175166959
5-O-benzyl 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate
CID 146490223
benzyl 2,2-dimethyl-5-oxopentanoate
CID 86616388
benzyl 2-amino-4-methoxybutanoate
CID 62479875
benzyl 3-hydroxy-2,2-dimethyl-3-phenylpropanoate
CID 101128345

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-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-triacontakis(2-hydroxypropoxycarbonyl)-4-(2-methoxyethoxycarbonyl)-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,68-tritriacontamethyl-69-[(2-methylpropan-2-yl)oxy]-69-oxo-6-phenylmethoxycarbonylnonahexacontanoic acid;methane?
The IUPAC name of 2-ethyl-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-triacontakis(2-hydroxypropoxycarbonyl)-4-(2-methoxyethoxycarbonyl)-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,68-tritriacontamethyl-69-[(2-methylpropan-2-yl)oxy]-69-oxo-6-phenylmethoxycarbonylnonahexacontanoic acid;methane (CID 163489410) is 2-ethyl-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-triacontakis(2-hydroxypropoxycarbonyl)-4-(2-methoxyethoxycarbonyl)-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,68-tritriacontamethyl-69-[(2-methylpropan-2-yl)oxy]-69-oxo-6-phenylmethoxycarbonylnonahexacontanoic acid;methane.
What is the SMILES notation for 2-ethyl-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-triacontakis(2-hydroxypropoxycarbonyl)-4-(2-methoxyethoxycarbonyl)-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,68-tritriacontamethyl-69-[(2-methylpropan-2-yl)oxy]-69-oxo-6-phenylmethoxycarbonylnonahexacontanoic acid;methane?
The canonical SMILES for 2-ethyl-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-triacontakis(2-hydroxypropoxycarbonyl)-4-(2-methoxyethoxycarbonyl)-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,68-tritriacontamethyl-69-[(2-methylpropan-2-yl)oxy]-69-oxo-6-phenylmethoxycarbonylnonahexacontanoic acid;methane is C.C.C.C.CCC(CC(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)C)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCC(C)O)C(=O)OCc1ccccc1)C(=O)OCCOC)C(=O)O.
What is the InChIKey of 2-ethyl-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-triacontakis(2-hydroxypropoxycarbonyl)-4-(2-methoxyethoxycarbonyl)-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,68-tritriacontamethyl-69-[(2-methylpropan-2-yl)oxy]-69-oxo-6-phenylmethoxycarbonylnonahexacontanoic acid;methane?
The InChIKey is CLHMAWWLBDHESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C240H406O99.4CH4/c1-69-172(174(271)272)77-173(175(273)307-76-75-306-68)78-210(37,177(275)338-109-171-73-71-70-72-74-171)111-212(39,179(277)309-80-142(3)242)113-214(41,181(279)311-82-144(5)244)115-216(43,183(281)313-84-146(7)246)117-218(45,185(283)315-86-148(9)248)119-220(47,187(285)317-88-150(11)250)121-222(49,189(287)319-90-152(13)252)123-224(51,191(289)321-92-154(15)254)125-226(53,193(291)323-94-156(17)256)127-228(55,195(293)325-96-158(19)258)129-230(57,197(295)327-98-160(21)260)131-232(59,199(297)329-100-162(23)262)133-234(61,201(299)331-102-164(25)264)135-236(63,203(301)333-104-166(27)266)137-238(65,205(303)335-106-168(29)268)139-240(67,207(305)337-108-170(31)270)140-239(66,206(304)336-107-169(30)269)138-237(64,204(302)334-105-167(28)267)136-235(62,202(300)332-103-165(26)265)134-233(60,200(298)330-101-163(24)263)132-231(58,198(296)328-99-161(22)261)130-229(56,196(294)326-97-159(20)259)128-227(54,194(292)324-95-157(18)257)126-225(52,192(290)322-93-155(16)255)124-223(50,190(288)320-91-153(14)253)122-221(48,188(286)318-89-151(12)251)120-219(46,186(284)316-87-149(10)249)118-217(44,184(282)314-85-147(8)247)116-215(42,182(280)312-83-145(6)245)114-213(40,180(278)310-81-143(4)243)112-211(38,178(276)308-79-141(2)241)110-209(35,36)176(274)339-208(32,33)34;;;;/h70-74,141-170,172-173,241-270H,69,75-140H2,1-68H3,(H,271,272);4*1H4.
What are the key properties of 2-ethyl-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-triacontakis(2-hydroxypropoxycarbonyl)-4-(2-methoxyethoxycarbonyl)-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,68-tritriacontamethyl-69-[(2-methylpropan-2-yl)oxy]-69-oxo-6-phenylmethoxycarbonylnonahexacontanoic acid;methane?
2-ethyl-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-triacontakis(2-hydroxypropoxycarbonyl)-4-(2-methoxyethoxycarbonyl)-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,68-tritriacontamethyl-69-[(2-methylpropan-2-yl)oxy]-69-oxo-6-phenylmethoxycarbonylnonahexacontanoic acid;methane has a molecular weight of 4939.96 g/mol, XLogP of 17.35, 166 rotatable bonds, 31 hydrogen bond donors, and 98 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-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-triacontakis(2-hydroxypropoxycarbonyl)-4-(2-methoxyethoxycarbonyl)-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,68-tritriacontamethyl-69-[(2-methylpropan-2-yl)oxy]-69-oxo-6-phenylmethoxycarbonylnonahexacontanoic acid;methane is sourced from PubChem (CID 163489410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).