icosakis[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-henicosamethylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate

C202H286O80 — CID 58122066

IUPACicosakis[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-henicosamethylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate
SMILESC=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(=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
InChIInChI=1S/C202H286O80/c1-63-184(44,164(224)264-85-65-244-144(204)124(4)5)105-186(46,166(226)266-87-67-246-146(206)126(8)9)107-188(48,168(228)268-89-69-248-148(208)128(12)13)109-190(50,170(230)270-91-71-250-150(210)130(16)17)111-192(52,172(232)272-93-73-252-152(212)132(20)21)113-194(54,174(234)274-95-75-254-154(214)134(24)25)115-196(56,176(236)276-97-77-256-156(216)136(28)29)117-198(58,178(238)278-99-79-258-158(218)138(32)33)119-200(60,180(240)280-101-81-260-160(220)140(36)37)121-202(62,182(242)282-103-83-262-162(222)142(40)41)122-201(61,181(241)281-102-82-261-161(221)141(38)39)120-199(59,179(239)279-100-80-259-159(219)139(34)35)118-197(57,177(237)277-98-78-257-157(217)137(30)31)116-195(55,175(235)275-96-76-255-155(215)135(26)27)114-193(53,173(233)273-94-74-253-153(213)133(22)23)112-191(51,171(231)271-92-72-251-151(211)131(18)19)110-189(49,169(229)269-90-70-249-149(209)129(14)15)108-187(47,167(227)267-88-68-247-147(207)127(10)11)106-185(45,165(225)265-86-66-245-145(205)125(6)7)104-183(42,43)163(223)263-84-64-243-143(203)123(2)3/h2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,63-122H2,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-62H3
InChIKeyKHIISOCMEFDXGW-UHFFFAOYSA-N
MW3994.43 g/mol
LogP22.20
Rot. Bonds139

About icosakis[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-henicosamethylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate

icosakis[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-henicosamethylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate (PubChem CID 58122066) has the molecular formula C202H286O80 and a molecular weight of 3994.43 g/mol. Its IUPAC name is icosakis[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-henicosamethylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate.

Molecular Properties

Compound Nameicosakis[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-henicosamethylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate
PubChem CID58122066
Molecular FormulaC202H286O80
Molecular Weight3994.43 g/mol
Exact Mass3991.83
IUPAC Nameicosakis[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-henicosamethylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate
SMILESC=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(=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
InChIInChI=1S/C202H286O80/c1-63-184(44,164(224)264-85-65-244-144(204)124(4)5)105-186(46,166(226)266-87-67-246-146(206)126(8)9)107-188(48,168(228)268-89-69-248-148(208)128(12)13)109-190(50,170(230)270-91-71-250-150(210)130(16)17)111-192(52,172(232)272-93-73-252-152(212)132(20)21)113-194(54,174(234)274-95-75-254-154(214)134(24)25)115-196(56,176(236)276-97-77-256-156(216)136(28)29)117-198(58,178(238)278-99-79-258-158(218)138(32)33)119-200(60,180(240)280-101-81-260-160(220)140(36)37)121-202(62,182(242)282-103-83-262-162(222)142(40)41)122-201(61,181(241)281-102-82-261-161(221)141(38)39)120-199(59,179(239)279-100-80-259-159(219)139(34)35)118-197(57,177(237)277-98-78-257-157(217)137(30)31)116-195(55,175(235)275-96-76-255-155(215)135(26)27)114-193(53,173(233)273-94-74-253-153(213)133(22)23)112-191(51,171(231)271-92-72-251-151(211)131(18)19)110-189(49,169(229)269-90-70-249-149(209)129(14)15)108-187(47,167(227)267-88-68-247-147(207)127(10)11)106-185(45,165(225)265-86-66-245-145(205)125(6)7)104-183(42,43)163(223)263-84-64-243-143(203)123(2)3/h2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,63-122H2,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-62H3
InChIKeyKHIISOCMEFDXGW-UHFFFAOYSA-N
XLogP22.20
TPSA1052.00 Ų
H-Bond Donors
H-Bond Acceptors80
Rotatable Bonds139
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003994.43
LogP ≤ 522.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1080

Analyze icosakis[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-henicosamethylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate with MolForge

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Related Compounds

6-[2-[1-[2-[6-(2-Methylprop-2-enoyloxy)hexoxy]-2-oxoethyl]-4-(4-propylcyclohexyl)cyclohexyl]acetyl]oxyhexyl 2-methylprop-2-enoate
CID 89236100
2,2-Bis[10-(2-methylprop-2-enoyloxy)decyl]decanedioic acid
CID 20563796
2-Ethyl-7-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-4-methoxycarbonyl-2,4,6,6-tetramethyl-7-oxoheptanoic acid
CID 20591735
1-O,5-O-dibutyl 3-O,7-O-dimethyl 3-(3-butoxy-2-methyl-3-oxopropyl)-1-methyloct-7-ene-1,3,5,7-tetracarboxylate
CID 21055589
Tetrakis[2-(2-methylprop-2-enoyloxy)ethyl] adamantane-1,3,5,7-tetracarboxylate
CID 21996786
5-O-[2-[5-[2-(2-methylprop-2-enylperoxy)ethoxy]-5-oxopentanoyl]oxyethyl] 1-O-octadecyl 2-ethyl-2,4-dimethylpentanedioate
CID 22085379
Tris[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,3,5-tricarboxylate
CID 22460255
5-O-prop-2-enyl 1-O-[2-(2,2,5,5-tetramethylheptanoyloxy)ethyl] pentanedioate
CID 53875996
1-O-[12-[2-(2-methylprop-2-enoyloxy)ethoxy]-12-oxododecyl] 5-O-propyl 4-ethyl-2,2,4-trimethylpentanedioate
CID 54273036
1-O-[12-[2-(2-methylprop-2-enoyloxy)ethoxy]-12-oxododecyl] 6-O-propyl 5-ethyl-2,2,5-trimethylhexanedioate
CID 54556370
3-O,5-O-bis(2-methoxyethyl) 1-O-methyl 1,1,3-trimethylhex-5-ene-1,3,5-tricarboxylate
CID 57652976
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

Frequently Asked Questions

What is the IUPAC name of icosakis[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-henicosamethylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate?
The IUPAC name of icosakis[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-henicosamethylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate (CID 58122066) is icosakis[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-henicosamethylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate.
What is the SMILES notation for icosakis[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-henicosamethylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate?
The canonical SMILES for icosakis[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-henicosamethylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate 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(=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 icosakis[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-henicosamethylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate?
The InChIKey is KHIISOCMEFDXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C202H286O80/c1-63-184(44,164(224)264-85-65-244-144(204)124(4)5)105-186(46,166(226)266-87-67-246-146(206)126(8)9)107-188(48,168(228)268-89-69-248-148(208)128(12)13)109-190(50,170(230)270-91-71-250-150(210)130(16)17)111-192(52,172(232)272-93-73-252-152(212)132(20)21)113-194(54,174(234)274-95-75-254-154(214)134(24)25)115-196(56,176(236)276-97-77-256-156(216)136(28)29)117-198(58,178(238)278-99-79-258-158(218)138(32)33)119-200(60,180(240)280-101-81-260-160(220)140(36)37)121-202(62,182(242)282-103-83-262-162(222)142(40)41)122-201(61,181(241)281-102-82-261-161(221)141(38)39)120-199(59,179(239)279-100-80-259-159(219)139(34)35)118-197(57,177(237)277-98-78-257-157(217)137(30)31)116-195(55,175(235)275-96-76-255-155(215)135(26)27)114-193(53,173(233)273-94-74-253-153(213)133(22)23)112-191(51,171(231)271-92-72-251-151(211)131(18)19)110-189(49,169(229)269-90-70-249-149(209)129(14)15)108-187(47,167(227)267-88-68-247-147(207)127(10)11)106-185(45,165(225)265-86-66-245-145(205)125(6)7)104-183(42,43)163(223)263-84-64-243-143(203)123(2)3/h2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,63-122H2,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-62H3.
What are the key properties of icosakis[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-henicosamethylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate?
icosakis[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-henicosamethylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate has a molecular weight of 3994.43 g/mol, XLogP of 22.20, 139 rotatable bonds, 0 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for icosakis[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-henicosamethylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate is sourced from PubChem (CID 58122066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).