4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]propyl] 2-methylprop-2-enoate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[(3R,4S,5R)-4,5,6-tris[5-(2-methylprop-2-enoyloxy)pentanoyloxy]oxan-3-yl] 5-(2-methylprop-2-enoyloxy)pentanoate

C251H388O55 — CID 157154108

IUPAC4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]propyl] 2-methylprop-2-enoate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[(3R,4S,5R)-4,5,6-tris[5-(2-methylprop-2-enoyloxy)pentanoyloxy]oxan-3-yl] 5-(2-methylprop-2-enoyloxy)pentanoate
SMILESC=C(C)C(=O)OCC(COC(=O)C(=C)C)Cc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)cc1.C=C(C)C(=O)OCCC1(CCOC(=O)C(=C)C)CCC(C2CCC(CCC)CC2)CC1.C=C(C)C(=O)OCCC1(CCOC(=O)C(=C)C)CCC(CCC)CC1.C=C(C)C(=O)OCCCCC(=O)OC1OC[C@@H](OC(=O)CCCCOC(=O)C(=C)C)[C@H](OC(=O)CCCCOC(=O)C(=C)C)[C@H]1OC(=O)CCCCOC(=O)C(=C)C.C=C(C)C(=O)OCCCCCCOC(=O)C1CCC(C2CCC(CCCCC)CC2)CC1.C=C(C)C(=O)OCCCCOC(=O)C1CCC(CCC)CC1.C=CC(=O)OCCC1(CCOC(=O)C=C)CCC(C2CCC(CCC)CC2)CC1.C=CC(=O)OCCC1(CCOC(=O)C=C)CCC(CCC)CC1.C=CC(=O)OCCCCCCOC(=O)C1CCC(C2CCC(CCCCC)CC2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(CCC)CC1
InChIInChI=1S/C41H58O17.C28H30O6.C28H48O4.C27H44O4.C27H46O4.C25H40O4.C21H34O4.C19H30O4.C18H30O4.C17H28O4/c1-26(2)37(46)50-21-13-9-17-31(42)55-30-25-54-41(58-34(45)20-12-16-24-53-40(49)29(7)8)36(57-33(44)19-11-15-23-52-39(48)28(5)6)35(30)56-32(43)18-10-14-22-51-38(47)27(3)4;1-18(2)26(29)32-16-22(17-33-27(30)19(3)4)15-21-7-9-23(10-8-21)24-11-13-25(14-12-24)34-28(31)20(5)6;1-4-5-8-11-23-12-14-24(15-13-23)25-16-18-26(19-17-25)28(30)32-21-10-7-6-9-20-31-27(29)22(2)3;1-6-7-22-8-10-23(11-9-22)24-12-14-27(15-13-24,16-18-30-25(28)20(2)3)17-19-31-26(29)21(4)5;1-3-5-8-11-22-12-14-23(15-13-22)24-16-18-25(19-17-24)27(29)31-21-10-7-6-9-20-30-26(28)4-2;1-4-7-20-8-10-21(11-9-20)22-12-14-25(15-13-22,16-18-28-23(26)5-2)17-19-29-24(27)6-3;1-6-7-18-8-10-21(11-9-18,12-14-24-19(22)16(2)3)13-15-25-20(23)17(4)5;1-4-7-16-8-10-19(11-9-16,12-14-22-17(20)5-2)13-15-23-18(21)6-3;1-4-7-15-8-10-16(11-9-15)18(20)22-13-6-5-12-21-17(19)14(2)3;1-3-7-14-8-10-15(11-9-14)17(19)21-13-6-5-12-20-16(18)4-2/h30,35-36,41H,1,3,5,7,9-25H2,2,4,6,8H3;7-14,22H,1,3,5,15-17H2,2,4,6H3;23-26H,2,4-21H2,1,3H3;22-24H,2,4,6-19H2,1,3,5H3;4,22-25H,2-3,5-21H2,1H3;5-6,20-22H,2-4,7-19H2,1H3;18H,2,4,6-15H2,1,3,5H3;5-6,16H,2-4,7-15H2,1H3;15-16H,2,4-13H2,1,3H3;4,14-15H,2-3,5-13H2,1H3/t30-,35+,36-,41?;;;;;;;;;/m1........./s1
InChIKeyALPKCNPSAYSISW-RCHABYFLSA-N
MW4285.81 g/mol
LogP54.09
Rot. Bonds127

About 4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]propyl] 2-methylprop-2-enoate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[(3R,4S,5R)-4,5,6-tris[5-(2-methylprop-2-enoyloxy)pentanoyloxy]oxan-3-yl] 5-(2-methylprop-2-enoyloxy)pentanoate

4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]propyl] 2-methylprop-2-enoate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[(3R,4S,5R)-4,5,6-tris[5-(2-methylprop-2-enoyloxy)pentanoyloxy]oxan-3-yl] 5-(2-methylprop-2-enoyloxy)pentanoate (PubChem CID 157154108) has the molecular formula C251H388O55 and a molecular weight of 4285.81 g/mol. Its IUPAC name is 4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]propyl] 2-methylprop-2-enoate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[(3R,4S,5R)-4,5,6-tris[5-(2-methylprop-2-enoyloxy)pentanoyloxy]oxan-3-yl] 5-(2-methylprop-2-enoyloxy)pentanoate.

Molecular Properties

Compound Name4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]propyl] 2-methylprop-2-enoate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[(3R,4S,5R)-4,5,6-tris[5-(2-methylprop-2-enoyloxy)pentanoyloxy]oxan-3-yl] 5-(2-methylprop-2-enoyloxy)pentanoate
PubChem CID157154108
Molecular FormulaC251H388O55
Molecular Weight4285.81 g/mol
Exact Mass4282.76
IUPAC Name4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]propyl] 2-methylprop-2-enoate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[(3R,4S,5R)-4,5,6-tris[5-(2-methylprop-2-enoyloxy)pentanoyloxy]oxan-3-yl] 5-(2-methylprop-2-enoyloxy)pentanoate
SMILESC=C(C)C(=O)OCC(COC(=O)C(=C)C)Cc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)cc1.C=C(C)C(=O)OCCC1(CCOC(=O)C(=C)C)CCC(C2CCC(CCC)CC2)CC1.C=C(C)C(=O)OCCC1(CCOC(=O)C(=C)C)CCC(CCC)CC1.C=C(C)C(=O)OCCCCC(=O)OC1OC[C@@H](OC(=O)CCCCOC(=O)C(=C)C)[C@H](OC(=O)CCCCOC(=O)C(=C)C)[C@H]1OC(=O)CCCCOC(=O)C(=C)C.C=C(C)C(=O)OCCCCCCOC(=O)C1CCC(C2CCC(CCCCC)CC2)CC1.C=C(C)C(=O)OCCCCOC(=O)C1CCC(CCC)CC1.C=CC(=O)OCCC1(CCOC(=O)C=C)CCC(C2CCC(CCC)CC2)CC1.C=CC(=O)OCCC1(CCOC(=O)C=C)CCC(CCC)CC1.C=CC(=O)OCCCCCCOC(=O)C1CCC(C2CCC(CCCCC)CC2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(CCC)CC1
InChIInChI=1S/C41H58O17.C28H30O6.C28H48O4.C27H44O4.C27H46O4.C25H40O4.C21H34O4.C19H30O4.C18H30O4.C17H28O4/c1-26(2)37(46)50-21-13-9-17-31(42)55-30-25-54-41(58-34(45)20-12-16-24-53-40(49)29(7)8)36(57-33(44)19-11-15-23-52-39(48)28(5)6)35(30)56-32(43)18-10-14-22-51-38(47)27(3)4;1-18(2)26(29)32-16-22(17-33-27(30)19(3)4)15-21-7-9-23(10-8-21)24-11-13-25(14-12-24)34-28(31)20(5)6;1-4-5-8-11-23-12-14-24(15-13-23)25-16-18-26(19-17-25)28(30)32-21-10-7-6-9-20-31-27(29)22(2)3;1-6-7-22-8-10-23(11-9-22)24-12-14-27(15-13-24,16-18-30-25(28)20(2)3)17-19-31-26(29)21(4)5;1-3-5-8-11-22-12-14-23(15-13-22)24-16-18-25(19-17-24)27(29)31-21-10-7-6-9-20-30-26(28)4-2;1-4-7-20-8-10-21(11-9-20)22-12-14-25(15-13-22,16-18-28-23(26)5-2)17-19-29-24(27)6-3;1-6-7-18-8-10-21(11-9-18,12-14-24-19(22)16(2)3)13-15-25-20(23)17(4)5;1-4-7-16-8-10-19(11-9-16,12-14-22-17(20)5-2)13-15-23-18(21)6-3;1-4-7-15-8-10-16(11-9-15)18(20)22-13-6-5-12-21-17(19)14(2)3;1-3-7-14-8-10-15(11-9-14)17(19)21-13-6-5-12-20-16(18)4-2/h30,35-36,41H,1,3,5,7,9-25H2,2,4,6,8H3;7-14,22H,1,3,5,15-17H2,2,4,6H3;23-26H,2,4-21H2,1,3H3;22-24H,2,4,6-19H2,1,3,5H3;4,22-25H,2-3,5-21H2,1H3;5-6,20-22H,2-4,7-19H2,1H3;18H,2,4,6-15H2,1,3,5H3;5-6,16H,2-4,7-15H2,1H3;15-16H,2,4-13H2,1,3H3;4,14-15H,2-3,5-13H2,1H3/t30-,35+,36-,41?;;;;;;;;;/m1........./s1
InChIKeyALPKCNPSAYSISW-RCHABYFLSA-N
XLogP54.09
TPSA719.33 Ų
H-Bond Donors
H-Bond Acceptors55
Rotatable Bonds127
Heavy Atoms306
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004285.81
LogP ≤ 554.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1055

Analyze 4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]propyl] 2-methylprop-2-enoate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[(3R,4S,5R)-4,5,6-tris[5-(2-methylprop-2-enoyloxy)pentanoyloxy]oxan-3-yl] 5-(2-methylprop-2-enoyloxy)pentanoate with MolForge

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Related Compounds

4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
CID 162094296
[4-[2-[(3-hydroxy-2,2-dimethylpropanoyl)oxymethyl]-3-(2-methylprop-2-enoyloxy)propyl]phenyl] 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate
CID 166645823
4-O-[6-oxo-6-[6-oxo-6-[6-oxo-6-[6-oxo-6-[6-oxo-6-[6-oxo-6-[6-oxo-6-[6-oxo-6-[8-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenoxy]carbonylphenoxy]octoxy]hexoxy]hexoxy]hexoxy]hexoxy]hexoxy]hexoxy]hexoxy]hexyl] 1-O-[8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxyphenoxy]carbonylphenoxy]octyl] butanedioate
CID 162775589
4-O-[4-[1-[4-[4-[4-[5-(4-pentylcyclohexyl)oxycarbonyl-2-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexanecarbonyl]oxyphenyl]phenyl]phenyl]phenyl]-4-(4-propylcyclohexyl)cyclohexyl]oxycarbonylphenyl] 1-O-(5-prop-2-enoyloxypentyl) cyclohexane-1,4-dicarboxylate
CID 118047632
4-O-[4-[4-(4-pentylcyclohexyl)-1-(2-phenylethynyl)cyclohexyl]oxycarbonylphenyl] 1-O-(6-prop-2-enoyloxyhexyl) cyclohexane-1,4-dicarboxylate
CID 122413856
6-prop-2-enoyloxyhexyl 4-pentylcyclohexane-1-carboxylate
CID 126578276
[(3R,5R)-2,4,5-tris(5-prop-2-enoyloxypentanoyloxy)oxan-3-yl] 5-(1-hydroxyprop-2-enoxy)pentanoate
CID 137428540
[4-[4-(4-heptylcyclohexyl)-1-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]phenyl] 2-methylprop-2-enoate
CID 89417596
6-[4-(4-pentylcyclohexyl)phenoxy]hexyl 6-(2-methylprop-2-enoyloxy)hexanoate
CID 58019591
[2-[[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]methyl]-3-propanoyloxypropyl] 2-methylprop-2-enoate
CID 123357249
[4-(6-prop-2-enoyloxyhexylsulfonyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 59281735
[(4S,5R)-2,5-bis[5-(2-methylprop-2-enoyloxy)pentanoyloxy]oxan-4-yl] 5-(2-methylprop-2-enoyloxy)pentanoate;[(4S,5R)-2,5-bis(5-prop-2-enoyloxypentanoyloxy)oxan-4-yl] 5-prop-2-enoyloxypentanoate
CID 145100505

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]propyl] 2-methylprop-2-enoate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[(3R,4S,5R)-4,5,6-tris[5-(2-methylprop-2-enoyloxy)pentanoyloxy]oxan-3-yl] 5-(2-methylprop-2-enoyloxy)pentanoate?
The IUPAC name of 4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]propyl] 2-methylprop-2-enoate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[(3R,4S,5R)-4,5,6-tris[5-(2-methylprop-2-enoyloxy)pentanoyloxy]oxan-3-yl] 5-(2-methylprop-2-enoyloxy)pentanoate (CID 157154108) is 4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]propyl] 2-methylprop-2-enoate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[(3R,4S,5R)-4,5,6-tris[5-(2-methylprop-2-enoyloxy)pentanoyloxy]oxan-3-yl] 5-(2-methylprop-2-enoyloxy)pentanoate.
What is the SMILES notation for 4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]propyl] 2-methylprop-2-enoate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[(3R,4S,5R)-4,5,6-tris[5-(2-methylprop-2-enoyloxy)pentanoyloxy]oxan-3-yl] 5-(2-methylprop-2-enoyloxy)pentanoate?
The canonical SMILES for 4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]propyl] 2-methylprop-2-enoate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[(3R,4S,5R)-4,5,6-tris[5-(2-methylprop-2-enoyloxy)pentanoyloxy]oxan-3-yl] 5-(2-methylprop-2-enoyloxy)pentanoate is C=C(C)C(=O)OCC(COC(=O)C(=C)C)Cc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)cc1.C=C(C)C(=O)OCCC1(CCOC(=O)C(=C)C)CCC(C2CCC(CCC)CC2)CC1.C=C(C)C(=O)OCCC1(CCOC(=O)C(=C)C)CCC(CCC)CC1.C=C(C)C(=O)OCCCCC(=O)OC1OC[C@@H](OC(=O)CCCCOC(=O)C(=C)C)[C@H](OC(=O)CCCCOC(=O)C(=C)C)[C@H]1OC(=O)CCCCOC(=O)C(=C)C.C=C(C)C(=O)OCCCCCCOC(=O)C1CCC(C2CCC(CCCCC)CC2)CC1.C=C(C)C(=O)OCCCCOC(=O)C1CCC(CCC)CC1.C=CC(=O)OCCC1(CCOC(=O)C=C)CCC(C2CCC(CCC)CC2)CC1.C=CC(=O)OCCC1(CCOC(=O)C=C)CCC(CCC)CC1.C=CC(=O)OCCCCCCOC(=O)C1CCC(C2CCC(CCCCC)CC2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(CCC)CC1.
What is the InChIKey of 4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]propyl] 2-methylprop-2-enoate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[(3R,4S,5R)-4,5,6-tris[5-(2-methylprop-2-enoyloxy)pentanoyloxy]oxan-3-yl] 5-(2-methylprop-2-enoyloxy)pentanoate?
The InChIKey is ALPKCNPSAYSISW-RCHABYFLSA-N. The full InChI is InChI=1S/C41H58O17.C28H30O6.C28H48O4.C27H44O4.C27H46O4.C25H40O4.C21H34O4.C19H30O4.C18H30O4.C17H28O4/c1-26(2)37(46)50-21-13-9-17-31(42)55-30-25-54-41(58-34(45)20-12-16-24-53-40(49)29(7)8)36(57-33(44)19-11-15-23-52-39(48)28(5)6)35(30)56-32(43)18-10-14-22-51-38(47)27(3)4;1-18(2)26(29)32-16-22(17-33-27(30)19(3)4)15-21-7-9-23(10-8-21)24-11-13-25(14-12-24)34-28(31)20(5)6;1-4-5-8-11-23-12-14-24(15-13-23)25-16-18-26(19-17-25)28(30)32-21-10-7-6-9-20-31-27(29)22(2)3;1-6-7-22-8-10-23(11-9-22)24-12-14-27(15-13-24,16-18-30-25(28)20(2)3)17-19-31-26(29)21(4)5;1-3-5-8-11-22-12-14-23(15-13-22)24-16-18-25(19-17-24)27(29)31-21-10-7-6-9-20-30-26(28)4-2;1-4-7-20-8-10-21(11-9-20)22-12-14-25(15-13-22,16-18-28-23(26)5-2)17-19-29-24(27)6-3;1-6-7-18-8-10-21(11-9-18,12-14-24-19(22)16(2)3)13-15-25-20(23)17(4)5;1-4-7-16-8-10-19(11-9-16,12-14-22-17(20)5-2)13-15-23-18(21)6-3;1-4-7-15-8-10-16(11-9-15)18(20)22-13-6-5-12-21-17(19)14(2)3;1-3-7-14-8-10-15(11-9-14)17(19)21-13-6-5-12-20-16(18)4-2/h30,35-36,41H,1,3,5,7,9-25H2,2,4,6,8H3;7-14,22H,1,3,5,15-17H2,2,4,6H3;23-26H,2,4-21H2,1,3H3;22-24H,2,4,6-19H2,1,3,5H3;4,22-25H,2-3,5-21H2,1H3;5-6,20-22H,2-4,7-19H2,1H3;18H,2,4,6-15H2,1,3,5H3;5-6,16H,2-4,7-15H2,1H3;15-16H,2,4-13H2,1,3H3;4,14-15H,2-3,5-13H2,1H3/t30-,35+,36-,41?;;;;;;;;;/m1........./s1.
What are the key properties of 4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]propyl] 2-methylprop-2-enoate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[(3R,4S,5R)-4,5,6-tris[5-(2-methylprop-2-enoyloxy)pentanoyloxy]oxan-3-yl] 5-(2-methylprop-2-enoyloxy)pentanoate?
4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]propyl] 2-methylprop-2-enoate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[(3R,4S,5R)-4,5,6-tris[5-(2-methylprop-2-enoyloxy)pentanoyloxy]oxan-3-yl] 5-(2-methylprop-2-enoyloxy)pentanoate has a molecular weight of 4285.81 g/mol, XLogP of 54.09, 127 rotatable bonds, 0 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]propyl] 2-methylprop-2-enoate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;[(3R,4S,5R)-4,5,6-tris[5-(2-methylprop-2-enoyloxy)pentanoyloxy]oxan-3-yl] 5-(2-methylprop-2-enoyloxy)pentanoate is sourced from PubChem (CID 157154108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).