1-[(4-butylcyclohexyl)-hydroperoxymethyl]-4-pentylbenzene;4-butyl-2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;N-[4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-3-fluorophenyl]methanimine;1-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-4-propylbenzene;4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-1-propylbenzene;4-ethyl-2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-methylbenzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-pentylbenzene;2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene;N-[2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]phenyl]methanimine;2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]-1-propylbenzene;1-hexyl-4-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene

C258H400F10N2O26 — CID 162266013

IUPAC1-[(4-butylcyclohexyl)-hydroperoxymethyl]-4-pentylbenzene;4-butyl-2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;N-[4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-3-fluorophenyl]methanimine;1-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-4-propylbenzene;4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-1-propylbenzene;4-ethyl-2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-methylbenzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-pentylbenzene;2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene;N-[2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]phenyl]methanimine;2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]-1-propylbenzene;1-hexyl-4-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene
SMILESC=Nc1ccc(C(OO)C2CCC(CC)CC2)c(F)c1.C=Nc1ccc(C(OO)C2CCC(CCC)CC2)cc1F.CCCC1CCC(C(OO)c2ccc(CC)cc2F)CC1.CCCCCC1CCC(C(OO)c2ccc(C)cc2F)CC1.CCCCCC1CCC(C(OO)c2ccc(CCC)cc2)CC1.CCCCCC1CCC(C(OO)c2ccc(CCCC)cc2F)CC1.CCCCCCc1ccc(C(OO)C2CCC(CCCCC)CC2)cc1.CCCCCc1ccc(C(OO)C2CCC(CCC)CC2)c(F)c1.CCCCCc1ccc(C(OO)C2CCC(CCCC)CC2)cc1.CCCCCc1ccc(C(OO)C2CCC(CCCCC)CC2)c(F)c1.CCCc1ccc(C(OO)C2CCC(CC)CC2)c(F)c1.CCCc1ccc(C(OO)C2CCC(CC)CC2)cc1F.CCCc1ccc(C(OO)C2CCC(CCC)CC2)cc1F
InChIInChI=1S/C24H40O2.C23H37FO2.C22H35FO2.C22H36O2.C21H33FO2.C21H34O2.2C19H29FO2.3C18H27FO2.C17H24FNO2.C16H22FNO2/c1-3-5-7-9-11-21-14-18-23(19-15-21)24(26-25)22-16-12-20(13-17-22)10-8-6-4-2;1-3-5-7-9-18-11-14-20(15-12-18)23(26-25)21-16-13-19(17-22(21)24)10-8-6-4-2;1-3-5-7-9-17-10-13-19(14-11-17)22(25-24)20-15-12-18(8-6-4-2)16-21(20)23;1-3-5-7-9-19-12-16-21(17-13-19)22(24-23)20-14-10-18(11-15-20)8-6-4-2;1-3-5-6-8-17-11-14-19(20(22)15-17)21(24-23)18-12-9-16(7-4-2)10-13-18;1-3-5-6-8-18-11-15-20(16-12-18)21(23-22)19-13-9-17(7-4-2)10-14-19;1-3-4-5-6-15-8-10-16(11-9-15)19(22-21)17-12-7-14(2)13-18(17)20;1-3-5-14-7-9-16(10-8-14)19(22-21)17-12-11-15(6-4-2)18(20)13-17;1-3-5-14-6-9-15(10-7-14)18(21-20)16-11-8-13(4-2)12-17(16)19;1-3-5-14-8-11-16(17(19)12-14)18(21-20)15-9-6-13(4-2)7-10-15;1-3-5-14-10-11-16(12-17(14)19)18(21-20)15-8-6-13(4-2)7-9-15;1-3-4-12-5-7-13(8-6-12)17(21-20)14-9-10-16(19-2)15(18)11-14;1-3-11-4-6-12(7-5-11)16(20-19)14-9-8-13(18-2)10-15(14)17/h14-15,18-20,22,24-25H,3-13,16-17H2,1-2H3;13,16-18,20,23,25H,3-12,14-15H2,1-2H3;12,15-17,19,22,24H,3-11,13-14H2,1-2H3;12-13,16-18,20,22-23H,3-11,14-15H2,1-2H3;11,14-16,18,21,23H,3-10,12-13H2,1-2H3;9-10,13-14,18,20-22H,3-8,11-12,15-16H2,1-2H3;7,12-13,15-16,19,21H,3-6,8-11H2,1-2H3;11-14,16,19,21H,3-10H2,1-2H3;8,11-12,14-15,18,20H,3-7,9-10H2,1-2H3;8,11-13,15,18,20H,3-7,9-10H2,1-2H3;10-13,15,18,20H,3-9H2,1-2H3;9-13,17,20H,2-8H2,1H3;8-12,16,19H,2-7H2,1H3
InChIKeyZZXIMMKKYMXJQQ-UHFFFAOYSA-N
MW4136.01 g/mol
LogP81.23
Rot. Bonds104

About 1-[(4-butylcyclohexyl)-hydroperoxymethyl]-4-pentylbenzene;4-butyl-2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;N-[4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-3-fluorophenyl]methanimine;1-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-4-propylbenzene;4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-1-propylbenzene;4-ethyl-2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-methylbenzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-pentylbenzene;2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene;N-[2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]phenyl]methanimine;2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]-1-propylbenzene;1-hexyl-4-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene

1-[(4-butylcyclohexyl)-hydroperoxymethyl]-4-pentylbenzene;4-butyl-2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;N-[4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-3-fluorophenyl]methanimine;1-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-4-propylbenzene;4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-1-propylbenzene;4-ethyl-2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-methylbenzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-pentylbenzene;2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene;N-[2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]phenyl]methanimine;2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]-1-propylbenzene;1-hexyl-4-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene (PubChem CID 162266013) has the molecular formula C258H400F10N2O26 and a molecular weight of 4136.01 g/mol. Its IUPAC name is 1-[(4-butylcyclohexyl)-hydroperoxymethyl]-4-pentylbenzene;4-butyl-2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;N-[4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-3-fluorophenyl]methanimine;1-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-4-propylbenzene;4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-1-propylbenzene;4-ethyl-2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-methylbenzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-pentylbenzene;2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene;N-[2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]phenyl]methanimine;2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]-1-propylbenzene;1-hexyl-4-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[(4-butylcyclohexyl)-hydroperoxymethyl]-4-pentylbenzene;4-butyl-2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;N-[4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-3-fluorophenyl]methanimine;1-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-4-propylbenzene;4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-1-propylbenzene;4-ethyl-2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-methylbenzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-pentylbenzene;2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene;N-[2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]phenyl]methanimine;2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]-1-propylbenzene;1-hexyl-4-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene
PubChem CID162266013
Molecular FormulaC258H400F10N2O26
Molecular Weight4136.01 g/mol
Exact Mass4132.99
IUPAC Name1-[(4-butylcyclohexyl)-hydroperoxymethyl]-4-pentylbenzene;4-butyl-2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;N-[4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-3-fluorophenyl]methanimine;1-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-4-propylbenzene;4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-1-propylbenzene;4-ethyl-2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-methylbenzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-pentylbenzene;2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene;N-[2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]phenyl]methanimine;2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]-1-propylbenzene;1-hexyl-4-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene
SMILESC=Nc1ccc(C(OO)C2CCC(CC)CC2)c(F)c1.C=Nc1ccc(C(OO)C2CCC(CCC)CC2)cc1F.CCCC1CCC(C(OO)c2ccc(CC)cc2F)CC1.CCCCCC1CCC(C(OO)c2ccc(C)cc2F)CC1.CCCCCC1CCC(C(OO)c2ccc(CCC)cc2)CC1.CCCCCC1CCC(C(OO)c2ccc(CCCC)cc2F)CC1.CCCCCCc1ccc(C(OO)C2CCC(CCCCC)CC2)cc1.CCCCCc1ccc(C(OO)C2CCC(CCC)CC2)c(F)c1.CCCCCc1ccc(C(OO)C2CCC(CCCC)CC2)cc1.CCCCCc1ccc(C(OO)C2CCC(CCCCC)CC2)c(F)c1.CCCc1ccc(C(OO)C2CCC(CC)CC2)c(F)c1.CCCc1ccc(C(OO)C2CCC(CC)CC2)cc1F.CCCc1ccc(C(OO)C2CCC(CCC)CC2)cc1F
InChIInChI=1S/C24H40O2.C23H37FO2.C22H35FO2.C22H36O2.C21H33FO2.C21H34O2.2C19H29FO2.3C18H27FO2.C17H24FNO2.C16H22FNO2/c1-3-5-7-9-11-21-14-18-23(19-15-21)24(26-25)22-16-12-20(13-17-22)10-8-6-4-2;1-3-5-7-9-18-11-14-20(15-12-18)23(26-25)21-16-13-19(17-22(21)24)10-8-6-4-2;1-3-5-7-9-17-10-13-19(14-11-17)22(25-24)20-15-12-18(8-6-4-2)16-21(20)23;1-3-5-7-9-19-12-16-21(17-13-19)22(24-23)20-14-10-18(11-15-20)8-6-4-2;1-3-5-6-8-17-11-14-19(20(22)15-17)21(24-23)18-12-9-16(7-4-2)10-13-18;1-3-5-6-8-18-11-15-20(16-12-18)21(23-22)19-13-9-17(7-4-2)10-14-19;1-3-4-5-6-15-8-10-16(11-9-15)19(22-21)17-12-7-14(2)13-18(17)20;1-3-5-14-7-9-16(10-8-14)19(22-21)17-12-11-15(6-4-2)18(20)13-17;1-3-5-14-6-9-15(10-7-14)18(21-20)16-11-8-13(4-2)12-17(16)19;1-3-5-14-8-11-16(17(19)12-14)18(21-20)15-9-6-13(4-2)7-10-15;1-3-5-14-10-11-16(12-17(14)19)18(21-20)15-8-6-13(4-2)7-9-15;1-3-4-12-5-7-13(8-6-12)17(21-20)14-9-10-16(19-2)15(18)11-14;1-3-11-4-6-12(7-5-11)16(20-19)14-9-8-13(18-2)10-15(14)17/h14-15,18-20,22,24-25H,3-13,16-17H2,1-2H3;13,16-18,20,23,25H,3-12,14-15H2,1-2H3;12,15-17,19,22,24H,3-11,13-14H2,1-2H3;12-13,16-18,20,22-23H,3-11,14-15H2,1-2H3;11,14-16,18,21,23H,3-10,12-13H2,1-2H3;9-10,13-14,18,20-22H,3-8,11-12,15-16H2,1-2H3;7,12-13,15-16,19,21H,3-6,8-11H2,1-2H3;11-14,16,19,21H,3-10H2,1-2H3;8,11-12,14-15,18,20H,3-7,9-10H2,1-2H3;8,11-13,15,18,20H,3-7,9-10H2,1-2H3;10-13,15,18,20H,3-9H2,1-2H3;9-13,17,20H,2-8H2,1H3;8-12,16,19H,2-7H2,1H3
InChIKeyZZXIMMKKYMXJQQ-UHFFFAOYSA-N
XLogP81.23
TPSA407.70 Ų
H-Bond Donors13
H-Bond Acceptors28
Rotatable Bonds104
Heavy Atoms296
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004136.01
LogP ≤ 581.23
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 1-[(4-butylcyclohexyl)-hydroperoxymethyl]-4-pentylbenzene;4-butyl-2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;N-[4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-3-fluorophenyl]methanimine;1-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-4-propylbenzene;4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-1-propylbenzene;4-ethyl-2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-methylbenzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-pentylbenzene;2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene;N-[2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]phenyl]methanimine;2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]-1-propylbenzene;1-hexyl-4-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene with MolForge

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Related Compounds

1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene
CID 22089376
1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene
CID 22089375
1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-propylbenzene
CID 22089378
4-[[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-hydroperoxymethyl]-2,6-difluorobenzonitrile;4-[[4-(4-butylcyclohexyl)phenyl]-hydroperoxymethyl]-2-fluorobenzonitrile;4-[(4-butyl-2-fluorophenyl)-hydroperoxymethyl]-2,6-difluorobenzonitrile;2,6-difluoro-4-[(2-fluoro-4-methylphenyl)-hydroperoxymethyl]benzonitrile;2,6-difluoro-4-[(2-fluoro-4-propylphenyl)-hydroperoxymethyl]benzonitrile;4-[[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-hydroperoxymethyl]-2,6-difluorobenzonitrile;4-[(2,6-difluoro-4-propylphenyl)-hydroperoxymethyl]-2,6-difluorobenzonitrile;4-[[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-hydroperoxymethyl]-2,6-difluorobenzonitrile;2-fluoro-4-[hydroperoxy-[4-(4-pentylcyclohexyl)phenyl]methyl]benzonitrile;2-fluoro-4-[hydroperoxy-[4-(4-propylcyclohexyl)phenyl]methyl]benzonitrile
CID 159893066
1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene
CID 172817862
1-[[4-(4-heptylcyclohexyl)cyclohexyl]-[[4-(4-heptylcyclohexyl)cyclohexyl]-(4-propylphenyl)methoxy]methyl]-4-propylbenzene
CID 57252571
1-ethoxy-4-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene
CID 58132107
(3-fluoro-4-pentylphenyl) 3-(4-octylcyclohexyl)propanoate
CID 67790011
(3-fluoro-4-octylphenyl) 3-(4-pentylcyclohexyl)propanoate
CID 67790694
1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
2-fluoro-1-heptyl-4-methylbenzene
CID 58718848
1-butyl-4-[2-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate;1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-ethylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate;1-(4-hexylcyclohexyl)-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;bis(1-pentyl-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene);(4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate;(4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;1-pentyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-propylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;(4-propylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate
CID 161382018

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butylcyclohexyl)-hydroperoxymethyl]-4-pentylbenzene;4-butyl-2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;N-[4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-3-fluorophenyl]methanimine;1-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-4-propylbenzene;4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-1-propylbenzene;4-ethyl-2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-methylbenzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-pentylbenzene;2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene;N-[2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]phenyl]methanimine;2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]-1-propylbenzene;1-hexyl-4-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene?
The IUPAC name of 1-[(4-butylcyclohexyl)-hydroperoxymethyl]-4-pentylbenzene;4-butyl-2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;N-[4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-3-fluorophenyl]methanimine;1-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-4-propylbenzene;4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-1-propylbenzene;4-ethyl-2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-methylbenzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-pentylbenzene;2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene;N-[2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]phenyl]methanimine;2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]-1-propylbenzene;1-hexyl-4-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene (CID 162266013) is 1-[(4-butylcyclohexyl)-hydroperoxymethyl]-4-pentylbenzene;4-butyl-2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;N-[4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-3-fluorophenyl]methanimine;1-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-4-propylbenzene;4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-1-propylbenzene;4-ethyl-2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-methylbenzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-pentylbenzene;2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene;N-[2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]phenyl]methanimine;2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]-1-propylbenzene;1-hexyl-4-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene.
What is the SMILES notation for 1-[(4-butylcyclohexyl)-hydroperoxymethyl]-4-pentylbenzene;4-butyl-2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;N-[4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-3-fluorophenyl]methanimine;1-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-4-propylbenzene;4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-1-propylbenzene;4-ethyl-2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-methylbenzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-pentylbenzene;2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene;N-[2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]phenyl]methanimine;2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]-1-propylbenzene;1-hexyl-4-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene?
The canonical SMILES for 1-[(4-butylcyclohexyl)-hydroperoxymethyl]-4-pentylbenzene;4-butyl-2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;N-[4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-3-fluorophenyl]methanimine;1-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-4-propylbenzene;4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-1-propylbenzene;4-ethyl-2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-methylbenzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-pentylbenzene;2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene;N-[2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]phenyl]methanimine;2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]-1-propylbenzene;1-hexyl-4-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene is C=Nc1ccc(C(OO)C2CCC(CC)CC2)c(F)c1.C=Nc1ccc(C(OO)C2CCC(CCC)CC2)cc1F.CCCC1CCC(C(OO)c2ccc(CC)cc2F)CC1.CCCCCC1CCC(C(OO)c2ccc(C)cc2F)CC1.CCCCCC1CCC(C(OO)c2ccc(CCC)cc2)CC1.CCCCCC1CCC(C(OO)c2ccc(CCCC)cc2F)CC1.CCCCCCc1ccc(C(OO)C2CCC(CCCCC)CC2)cc1.CCCCCc1ccc(C(OO)C2CCC(CCC)CC2)c(F)c1.CCCCCc1ccc(C(OO)C2CCC(CCCC)CC2)cc1.CCCCCc1ccc(C(OO)C2CCC(CCCCC)CC2)c(F)c1.CCCc1ccc(C(OO)C2CCC(CC)CC2)c(F)c1.CCCc1ccc(C(OO)C2CCC(CC)CC2)cc1F.CCCc1ccc(C(OO)C2CCC(CCC)CC2)cc1F.
What is the InChIKey of 1-[(4-butylcyclohexyl)-hydroperoxymethyl]-4-pentylbenzene;4-butyl-2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;N-[4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-3-fluorophenyl]methanimine;1-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-4-propylbenzene;4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-1-propylbenzene;4-ethyl-2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-methylbenzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-pentylbenzene;2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene;N-[2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]phenyl]methanimine;2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]-1-propylbenzene;1-hexyl-4-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene?
The InChIKey is ZZXIMMKKYMXJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2.C23H37FO2.C22H35FO2.C22H36O2.C21H33FO2.C21H34O2.2C19H29FO2.3C18H27FO2.C17H24FNO2.C16H22FNO2/c1-3-5-7-9-11-21-14-18-23(19-15-21)24(26-25)22-16-12-20(13-17-22)10-8-6-4-2;1-3-5-7-9-18-11-14-20(15-12-18)23(26-25)21-16-13-19(17-22(21)24)10-8-6-4-2;1-3-5-7-9-17-10-13-19(14-11-17)22(25-24)20-15-12-18(8-6-4-2)16-21(20)23;1-3-5-7-9-19-12-16-21(17-13-19)22(24-23)20-14-10-18(11-15-20)8-6-4-2;1-3-5-6-8-17-11-14-19(20(22)15-17)21(24-23)18-12-9-16(7-4-2)10-13-18;1-3-5-6-8-18-11-15-20(16-12-18)21(23-22)19-13-9-17(7-4-2)10-14-19;1-3-4-5-6-15-8-10-16(11-9-15)19(22-21)17-12-7-14(2)13-18(17)20;1-3-5-14-7-9-16(10-8-14)19(22-21)17-12-11-15(6-4-2)18(20)13-17;1-3-5-14-6-9-15(10-7-14)18(21-20)16-11-8-13(4-2)12-17(16)19;1-3-5-14-8-11-16(17(19)12-14)18(21-20)15-9-6-13(4-2)7-10-15;1-3-5-14-10-11-16(12-17(14)19)18(21-20)15-8-6-13(4-2)7-9-15;1-3-4-12-5-7-13(8-6-12)17(21-20)14-9-10-16(19-2)15(18)11-14;1-3-11-4-6-12(7-5-11)16(20-19)14-9-8-13(18-2)10-15(14)17/h14-15,18-20,22,24-25H,3-13,16-17H2,1-2H3;13,16-18,20,23,25H,3-12,14-15H2,1-2H3;12,15-17,19,22,24H,3-11,13-14H2,1-2H3;12-13,16-18,20,22-23H,3-11,14-15H2,1-2H3;11,14-16,18,21,23H,3-10,12-13H2,1-2H3;9-10,13-14,18,20-22H,3-8,11-12,15-16H2,1-2H3;7,12-13,15-16,19,21H,3-6,8-11H2,1-2H3;11-14,16,19,21H,3-10H2,1-2H3;8,11-12,14-15,18,20H,3-7,9-10H2,1-2H3;8,11-13,15,18,20H,3-7,9-10H2,1-2H3;10-13,15,18,20H,3-9H2,1-2H3;9-13,17,20H,2-8H2,1H3;8-12,16,19H,2-7H2,1H3.
What are the key properties of 1-[(4-butylcyclohexyl)-hydroperoxymethyl]-4-pentylbenzene;4-butyl-2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;N-[4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-3-fluorophenyl]methanimine;1-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-4-propylbenzene;4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-1-propylbenzene;4-ethyl-2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-methylbenzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-pentylbenzene;2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene;N-[2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]phenyl]methanimine;2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]-1-propylbenzene;1-hexyl-4-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene?
1-[(4-butylcyclohexyl)-hydroperoxymethyl]-4-pentylbenzene;4-butyl-2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;N-[4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-3-fluorophenyl]methanimine;1-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-4-propylbenzene;4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-1-propylbenzene;4-ethyl-2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-methylbenzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-pentylbenzene;2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene;N-[2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]phenyl]methanimine;2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]-1-propylbenzene;1-hexyl-4-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene has a molecular weight of 4136.01 g/mol, XLogP of 81.23, 104 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butylcyclohexyl)-hydroperoxymethyl]-4-pentylbenzene;4-butyl-2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;N-[4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-3-fluorophenyl]methanimine;1-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-4-propylbenzene;4-[(4-ethylcyclohexyl)-hydroperoxymethyl]-2-fluoro-1-propylbenzene;4-ethyl-2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-methylbenzene;2-fluoro-1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-pentylbenzene;2-fluoro-1-[hydroperoxy-(4-propylcyclohexyl)methyl]-4-pentylbenzene;N-[2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]phenyl]methanimine;2-fluoro-4-[hydroperoxy-(4-propylcyclohexyl)methyl]-1-propylbenzene;1-hexyl-4-[hydroperoxy-(4-pentylcyclohexyl)methyl]benzene;1-[hydroperoxy-(4-pentylcyclohexyl)methyl]-4-propylbenzene is sourced from PubChem (CID 162266013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).