but-1-ene;1-but-3-enoxyheptane;1-(6-but-3-enoxyhexoxy)-4-methylcyclohexane;1-but-3-enoxy-4-methylbenzene;1-but-3-enoxy-4-methylcyclohexane;4-but-3-enyl-1-(3-ethylperoxypropyl)-1-fluorocyclohexane;1-but-3-enyl-4-methylbenzene;1-but-3-enyl-4-methylcyclohexane;1-(but-3-enylperoxymethyl)-4-propylbenzene;1-(but-3-enylperoxymethyl)-4-propylcyclohexane;1-butoxy-4-[(2Z)-hepta-2,6-dienyl]benzene;1-butoxy-4-methylidenecyclohexane;1-butoxy-4-pent-4-enylcyclohexane;butyl 4-but-3-enoxy-2-methylbenzoate;1-butyl-4-prop-2-enylcyclohexane;1,1-difluoro-2-methyl-5-oct-7-enylcyclohexane;ethyl 4-dec-9-enyl-4-methylcyclohexane-1-carboxylate;1-ethyl-4-hept-6-enylsulfanylbenzene;(2-fluoro-4-methylphenyl) icos-19-enoate;hex-1-ene;4-methoxybut-1-ene;1-methyl-4-methylidenecyclohexane;(4-methylphenyl) hept-6-enoate;1-methyl-4-(6-prop-2-enoxyhexoxy)benzene;methyl 4-prop-2-enylbenzoate;pent-1-ene

C333H548F4O28S — CID 157200809

IUPACbut-1-ene;1-but-3-enoxyheptane;1-(6-but-3-enoxyhexoxy)-4-methylcyclohexane;1-but-3-enoxy-4-methylbenzene;1-but-3-enoxy-4-methylcyclohexane;4-but-3-enyl-1-(3-ethylperoxypropyl)-1-fluorocyclohexane;1-but-3-enyl-4-methylbenzene;1-but-3-enyl-4-methylcyclohexane;1-(but-3-enylperoxymethyl)-4-propylbenzene;1-(but-3-enylperoxymethyl)-4-propylcyclohexane;1-butoxy-4-[(2Z)-hepta-2,6-dienyl]benzene;1-butoxy-4-methylidenecyclohexane;1-butoxy-4-pent-4-enylcyclohexane;butyl 4-but-3-enoxy-2-methylbenzoate;1-butyl-4-prop-2-enylcyclohexane;1,1-difluoro-2-methyl-5-oct-7-enylcyclohexane;ethyl 4-dec-9-enyl-4-methylcyclohexane-1-carboxylate;1-ethyl-4-hept-6-enylsulfanylbenzene;(2-fluoro-4-methylphenyl) icos-19-enoate;hex-1-ene;4-methoxybut-1-ene;1-methyl-4-methylidenecyclohexane;(4-methylphenyl) hept-6-enoate;1-methyl-4-(6-prop-2-enoxyhexoxy)benzene;methyl 4-prop-2-enylbenzoate;pent-1-ene
SMILESC=C1CCC(C)CC1.C=C1CCC(OCCCC)CC1.C=CCC.C=CCC/C=C\Cc1ccc(OCCCC)cc1.C=CCC1CCC(CCCC)CC1.C=CCCC.C=CCCC1CCC(C)CC1.C=CCCC1CCC(F)(CCCOOCC)CC1.C=CCCCC.C=CCCCC1CCC(OCCCC)CC1.C=CCCCCC(=O)Oc1ccc(C)cc1.C=CCCCCCCC1CCC(C)C(F)(F)C1.C=CCCCCCCCCC1(C)CCC(C(=O)OCC)CC1.C=CCCCCCCCCCCCCCCCCCC(=O)Oc1ccc(C)cc1F.C=CCCCCCSc1ccc(CC)cc1.C=CCCOC.C=CCCOC1CCC(C)CC1.C=CCCOCCCCCCC.C=CCCOCCCCCCOC1CCC(C)CC1.C=CCCOOCC1CCC(CCC)CC1.C=CCCOOCc1ccc(CCC)cc1.C=CCCOc1ccc(C(=O)OCCCC)c(C)c1.C=CCCOc1ccc(C)cc1.C=CCCc1ccc(C)cc1.C=CCOCCCCCCOc1ccc(C)cc1.C=CCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C27H43FO2.C20H36O2.C17H32O2.C17H24O.C16H22O3.C16H24O2.C15H26F2.C15H27FO2.C15H28O.C15H22S.C14H18O2.C14H26O2.C14H20O2.C13H24.C11H12O2.2C11H20O.C11H14O.C11H22O.C11H20.C11H14.C8H14.C6H12.C5H10O.C5H10.C4H8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(29)30-26-22-21-24(2)23-25(26)28;1-4-6-7-8-9-10-11-12-15-20(3)16-13-18(14-17-20)19(21)22-5-2;1-3-4-13-18-14-7-5-6-8-15-19-17-11-9-16(2)10-12-17;1-3-5-7-8-9-10-16-11-13-17(14-12-16)18-15-6-4-2;1-4-6-10-18-14-8-9-15(13(3)12-14)16(17)19-11-7-5-2;1-3-12-17-13-6-4-5-7-14-18-16-10-8-15(2)9-11-16;1-3-4-5-6-7-8-9-14-11-10-13(2)15(16,17)12-14;1-3-5-7-14-8-11-15(16,12-9-14)10-6-13-18-17-4-2;1-3-5-7-8-14-9-11-15(12-10-14)16-13-6-4-2;1-3-5-6-7-8-13-16-15-11-9-14(4-2)10-12-15;1-3-4-5-6-7-14(15)16-13-10-8-12(2)9-11-13;2*1-3-5-11-15-16-12-14-9-7-13(6-4-2)8-10-14;1-3-5-7-13-10-8-12(6-4-2)9-11-13;1-3-4-9-5-7-10(8-6-9)11(12)13-2;3*1-3-4-9-12-11-7-5-10(2)6-8-11;1-3-5-7-8-9-11-12-10-6-4-2;2*1-3-4-5-11-8-6-10(2)7-9-11;1-7-3-5-8(2)6-4-7;1-3-5-6-4-2;1-3-4-5-6-2;1-3-5-4-2;1-3-4-2/h3,21-23H,1,4-20H2,2H3;4,18H,1,5-17H2,2-3H3;3,16-17H,1,4-15H2,2H3;3,8-9,11-14H,1,4-7,10,15H2,2H3;4,8-9,12H,1,5-7,10-11H2,2-3H3;3,8-11H,1,4-7,12-14H2,2H3;3,13-14H,1,4-12H2,2H3;3,14H,1,4-13H2,2H3;3,14-15H,1,4-13H2,2H3;3,9-12H,1,4-8,13H2,2H3;3,8-11H,1,4-7H2,2H3;3,13-14H,1,4-12H2,2H3;3,7-10H,1,4-6,11-12H2,2H3;4,12-13H,2-3,5-11H2,1H3;3,5-8H,1,4H2,2H3;11H,2-9H2,1H3;3,10-11H,1,4-9H2,2H3;3,5-8H,1,4,9H2,2H3;4H,2-3,5-11H2,1H3;3,10-11H,1,4-9H2,2H3;3,6-9H,1,4-5H2,2H3;8H,1,3-6H2,2H3;3H,1,4-6H2,2H3;3H,1,4-5H2,2H3;3H,1,4-5H2,2H3;3H,1,4H2,2H3/b;;;9-8-;;;;;;;;;;;;;;;;;;;;;;
InChIKeyAQTUMBQUZCISFX-PZFIALDXSA-N
MW5108.08 g/mol
LogP100.53
Rot. Bonds166

About but-1-ene;1-but-3-enoxyheptane;1-(6-but-3-enoxyhexoxy)-4-methylcyclohexane;1-but-3-enoxy-4-methylbenzene;1-but-3-enoxy-4-methylcyclohexane;4-but-3-enyl-1-(3-ethylperoxypropyl)-1-fluorocyclohexane;1-but-3-enyl-4-methylbenzene;1-but-3-enyl-4-methylcyclohexane;1-(but-3-enylperoxymethyl)-4-propylbenzene;1-(but-3-enylperoxymethyl)-4-propylcyclohexane;1-butoxy-4-[(2Z)-hepta-2,6-dienyl]benzene;1-butoxy-4-methylidenecyclohexane;1-butoxy-4-pent-4-enylcyclohexane;butyl 4-but-3-enoxy-2-methylbenzoate;1-butyl-4-prop-2-enylcyclohexane;1,1-difluoro-2-methyl-5-oct-7-enylcyclohexane;ethyl 4-dec-9-enyl-4-methylcyclohexane-1-carboxylate;1-ethyl-4-hept-6-enylsulfanylbenzene;(2-fluoro-4-methylphenyl) icos-19-enoate;hex-1-ene;4-methoxybut-1-ene;1-methyl-4-methylidenecyclohexane;(4-methylphenyl) hept-6-enoate;1-methyl-4-(6-prop-2-enoxyhexoxy)benzene;methyl 4-prop-2-enylbenzoate;pent-1-ene

but-1-ene;1-but-3-enoxyheptane;1-(6-but-3-enoxyhexoxy)-4-methylcyclohexane;1-but-3-enoxy-4-methylbenzene;1-but-3-enoxy-4-methylcyclohexane;4-but-3-enyl-1-(3-ethylperoxypropyl)-1-fluorocyclohexane;1-but-3-enyl-4-methylbenzene;1-but-3-enyl-4-methylcyclohexane;1-(but-3-enylperoxymethyl)-4-propylbenzene;1-(but-3-enylperoxymethyl)-4-propylcyclohexane;1-butoxy-4-[(2Z)-hepta-2,6-dienyl]benzene;1-butoxy-4-methylidenecyclohexane;1-butoxy-4-pent-4-enylcyclohexane;butyl 4-but-3-enoxy-2-methylbenzoate;1-butyl-4-prop-2-enylcyclohexane;1,1-difluoro-2-methyl-5-oct-7-enylcyclohexane;ethyl 4-dec-9-enyl-4-methylcyclohexane-1-carboxylate;1-ethyl-4-hept-6-enylsulfanylbenzene;(2-fluoro-4-methylphenyl) icos-19-enoate;hex-1-ene;4-methoxybut-1-ene;1-methyl-4-methylidenecyclohexane;(4-methylphenyl) hept-6-enoate;1-methyl-4-(6-prop-2-enoxyhexoxy)benzene;methyl 4-prop-2-enylbenzoate;pent-1-ene (PubChem CID 157200809) has the molecular formula C333H548F4O28S and a molecular weight of 5108.08 g/mol. Its IUPAC name is but-1-ene;1-but-3-enoxyheptane;1-(6-but-3-enoxyhexoxy)-4-methylcyclohexane;1-but-3-enoxy-4-methylbenzene;1-but-3-enoxy-4-methylcyclohexane;4-but-3-enyl-1-(3-ethylperoxypropyl)-1-fluorocyclohexane;1-but-3-enyl-4-methylbenzene;1-but-3-enyl-4-methylcyclohexane;1-(but-3-enylperoxymethyl)-4-propylbenzene;1-(but-3-enylperoxymethyl)-4-propylcyclohexane;1-butoxy-4-[(2Z)-hepta-2,6-dienyl]benzene;1-butoxy-4-methylidenecyclohexane;1-butoxy-4-pent-4-enylcyclohexane;butyl 4-but-3-enoxy-2-methylbenzoate;1-butyl-4-prop-2-enylcyclohexane;1,1-difluoro-2-methyl-5-oct-7-enylcyclohexane;ethyl 4-dec-9-enyl-4-methylcyclohexane-1-carboxylate;1-ethyl-4-hept-6-enylsulfanylbenzene;(2-fluoro-4-methylphenyl) icos-19-enoate;hex-1-ene;4-methoxybut-1-ene;1-methyl-4-methylidenecyclohexane;(4-methylphenyl) hept-6-enoate;1-methyl-4-(6-prop-2-enoxyhexoxy)benzene;methyl 4-prop-2-enylbenzoate;pent-1-ene.

Molecular Properties

Compound Namebut-1-ene;1-but-3-enoxyheptane;1-(6-but-3-enoxyhexoxy)-4-methylcyclohexane;1-but-3-enoxy-4-methylbenzene;1-but-3-enoxy-4-methylcyclohexane;4-but-3-enyl-1-(3-ethylperoxypropyl)-1-fluorocyclohexane;1-but-3-enyl-4-methylbenzene;1-but-3-enyl-4-methylcyclohexane;1-(but-3-enylperoxymethyl)-4-propylbenzene;1-(but-3-enylperoxymethyl)-4-propylcyclohexane;1-butoxy-4-[(2Z)-hepta-2,6-dienyl]benzene;1-butoxy-4-methylidenecyclohexane;1-butoxy-4-pent-4-enylcyclohexane;butyl 4-but-3-enoxy-2-methylbenzoate;1-butyl-4-prop-2-enylcyclohexane;1,1-difluoro-2-methyl-5-oct-7-enylcyclohexane;ethyl 4-dec-9-enyl-4-methylcyclohexane-1-carboxylate;1-ethyl-4-hept-6-enylsulfanylbenzene;(2-fluoro-4-methylphenyl) icos-19-enoate;hex-1-ene;4-methoxybut-1-ene;1-methyl-4-methylidenecyclohexane;(4-methylphenyl) hept-6-enoate;1-methyl-4-(6-prop-2-enoxyhexoxy)benzene;methyl 4-prop-2-enylbenzoate;pent-1-ene
PubChem CID157200809
Molecular FormulaC333H548F4O28S
Molecular Weight5108.08 g/mol
Exact Mass5104.11
IUPAC Namebut-1-ene;1-but-3-enoxyheptane;1-(6-but-3-enoxyhexoxy)-4-methylcyclohexane;1-but-3-enoxy-4-methylbenzene;1-but-3-enoxy-4-methylcyclohexane;4-but-3-enyl-1-(3-ethylperoxypropyl)-1-fluorocyclohexane;1-but-3-enyl-4-methylbenzene;1-but-3-enyl-4-methylcyclohexane;1-(but-3-enylperoxymethyl)-4-propylbenzene;1-(but-3-enylperoxymethyl)-4-propylcyclohexane;1-butoxy-4-[(2Z)-hepta-2,6-dienyl]benzene;1-butoxy-4-methylidenecyclohexane;1-butoxy-4-pent-4-enylcyclohexane;butyl 4-but-3-enoxy-2-methylbenzoate;1-butyl-4-prop-2-enylcyclohexane;1,1-difluoro-2-methyl-5-oct-7-enylcyclohexane;ethyl 4-dec-9-enyl-4-methylcyclohexane-1-carboxylate;1-ethyl-4-hept-6-enylsulfanylbenzene;(2-fluoro-4-methylphenyl) icos-19-enoate;hex-1-ene;4-methoxybut-1-ene;1-methyl-4-methylidenecyclohexane;(4-methylphenyl) hept-6-enoate;1-methyl-4-(6-prop-2-enoxyhexoxy)benzene;methyl 4-prop-2-enylbenzoate;pent-1-ene
SMILESC=C1CCC(C)CC1.C=C1CCC(OCCCC)CC1.C=CCC.C=CCC/C=C\Cc1ccc(OCCCC)cc1.C=CCC1CCC(CCCC)CC1.C=CCCC.C=CCCC1CCC(C)CC1.C=CCCC1CCC(F)(CCCOOCC)CC1.C=CCCCC.C=CCCCC1CCC(OCCCC)CC1.C=CCCCCC(=O)Oc1ccc(C)cc1.C=CCCCCCCC1CCC(C)C(F)(F)C1.C=CCCCCCCCCC1(C)CCC(C(=O)OCC)CC1.C=CCCCCCCCCCCCCCCCCCC(=O)Oc1ccc(C)cc1F.C=CCCCCCSc1ccc(CC)cc1.C=CCCOC.C=CCCOC1CCC(C)CC1.C=CCCOCCCCCCC.C=CCCOCCCCCCOC1CCC(C)CC1.C=CCCOOCC1CCC(CCC)CC1.C=CCCOOCc1ccc(CCC)cc1.C=CCCOc1ccc(C(=O)OCCCC)c(C)c1.C=CCCOc1ccc(C)cc1.C=CCCc1ccc(C)cc1.C=CCOCCCCCCOc1ccc(C)cc1.C=CCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C27H43FO2.C20H36O2.C17H32O2.C17H24O.C16H22O3.C16H24O2.C15H26F2.C15H27FO2.C15H28O.C15H22S.C14H18O2.C14H26O2.C14H20O2.C13H24.C11H12O2.2C11H20O.C11H14O.C11H22O.C11H20.C11H14.C8H14.C6H12.C5H10O.C5H10.C4H8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(29)30-26-22-21-24(2)23-25(26)28;1-4-6-7-8-9-10-11-12-15-20(3)16-13-18(14-17-20)19(21)22-5-2;1-3-4-13-18-14-7-5-6-8-15-19-17-11-9-16(2)10-12-17;1-3-5-7-8-9-10-16-11-13-17(14-12-16)18-15-6-4-2;1-4-6-10-18-14-8-9-15(13(3)12-14)16(17)19-11-7-5-2;1-3-12-17-13-6-4-5-7-14-18-16-10-8-15(2)9-11-16;1-3-4-5-6-7-8-9-14-11-10-13(2)15(16,17)12-14;1-3-5-7-14-8-11-15(16,12-9-14)10-6-13-18-17-4-2;1-3-5-7-8-14-9-11-15(12-10-14)16-13-6-4-2;1-3-5-6-7-8-13-16-15-11-9-14(4-2)10-12-15;1-3-4-5-6-7-14(15)16-13-10-8-12(2)9-11-13;2*1-3-5-11-15-16-12-14-9-7-13(6-4-2)8-10-14;1-3-5-7-13-10-8-12(6-4-2)9-11-13;1-3-4-9-5-7-10(8-6-9)11(12)13-2;3*1-3-4-9-12-11-7-5-10(2)6-8-11;1-3-5-7-8-9-11-12-10-6-4-2;2*1-3-4-5-11-8-6-10(2)7-9-11;1-7-3-5-8(2)6-4-7;1-3-5-6-4-2;1-3-4-5-6-2;1-3-5-4-2;1-3-4-2/h3,21-23H,1,4-20H2,2H3;4,18H,1,5-17H2,2-3H3;3,16-17H,1,4-15H2,2H3;3,8-9,11-14H,1,4-7,10,15H2,2H3;4,8-9,12H,1,5-7,10-11H2,2-3H3;3,8-11H,1,4-7,12-14H2,2H3;3,13-14H,1,4-12H2,2H3;3,14H,1,4-13H2,2H3;3,14-15H,1,4-13H2,2H3;3,9-12H,1,4-8,13H2,2H3;3,8-11H,1,4-7H2,2H3;3,13-14H,1,4-12H2,2H3;3,7-10H,1,4-6,11-12H2,2H3;4,12-13H,2-3,5-11H2,1H3;3,5-8H,1,4H2,2H3;11H,2-9H2,1H3;3,10-11H,1,4-9H2,2H3;3,5-8H,1,4,9H2,2H3;4H,2-3,5-11H2,1H3;3,10-11H,1,4-9H2,2H3;3,6-9H,1,4-5H2,2H3;8H,1,3-6H2,2H3;3H,1,4-6H2,2H3;3H,1,4-5H2,2H3;3H,1,4-5H2,2H3;3H,1,4H2,2H3/b;;;9-8-;;;;;;;;;;;;;;;;;;;;;;
InChIKeyAQTUMBQUZCISFX-PZFIALDXSA-N
XLogP100.53
TPSA297.64 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds166
Heavy Atoms366
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005108.08
LogP ≤ 5100.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze but-1-ene;1-but-3-enoxyheptane;1-(6-but-3-enoxyhexoxy)-4-methylcyclohexane;1-but-3-enoxy-4-methylbenzene;1-but-3-enoxy-4-methylcyclohexane;4-but-3-enyl-1-(3-ethylperoxypropyl)-1-fluorocyclohexane;1-but-3-enyl-4-methylbenzene;1-but-3-enyl-4-methylcyclohexane;1-(but-3-enylperoxymethyl)-4-propylbenzene;1-(but-3-enylperoxymethyl)-4-propylcyclohexane;1-butoxy-4-[(2Z)-hepta-2,6-dienyl]benzene;1-butoxy-4-methylidenecyclohexane;1-butoxy-4-pent-4-enylcyclohexane;butyl 4-but-3-enoxy-2-methylbenzoate;1-butyl-4-prop-2-enylcyclohexane;1,1-difluoro-2-methyl-5-oct-7-enylcyclohexane;ethyl 4-dec-9-enyl-4-methylcyclohexane-1-carboxylate;1-ethyl-4-hept-6-enylsulfanylbenzene;(2-fluoro-4-methylphenyl) icos-19-enoate;hex-1-ene;4-methoxybut-1-ene;1-methyl-4-methylidenecyclohexane;(4-methylphenyl) hept-6-enoate;1-methyl-4-(6-prop-2-enoxyhexoxy)benzene;methyl 4-prop-2-enylbenzoate;pent-1-ene with MolForge

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Launch Full Analysis

Related Compounds

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CID 53826116
1,1,1-Trifluoropropan-2-yl 4-[4-(4-methoxyphenyl)benzoyl]oxy-2-methylbenzoate;1,1,1-trifluoropropan-2-yl 4-[4-(4-methoxyphenyl)benzoyl]oxy-3-methylbenzoate
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[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-methyl-3-[4-(oxan-2-ylsulfanyl)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58693258
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[4-(4-methylphenyl)sulfanylphenyl]-2-[4-(4-phenoxyphenoxy)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 60119343
[4-[2-Fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-(4-methylcyclohexyl)phenyl] prop-2-enoate;6-[4-(4-methylphenyl)phenoxy]hexyl prop-2-enoate
CID 91214856
[4-[3-(3,5-Difluorophenyl)-4-methylphenoxy]carbonylcyclohexyl] 4-(4-pentylcyclohexanecarbonyl)oxybenzoate
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CID 145749571
CID 157296665
CID 157296665
[4-[4-(3,4-Dimethylbenzoyl)oxybenzoyl]phenyl] 3,4-dimethylbenzoate;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenoxy]phenyl] 3,4-dimethylbenzoate;[4-(3,4-dimethylbenzoyl)oxyphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene
CID 157304472
[4-(4-Tert-butylbenzoyl)oxyphenyl]-diphenylsulfanium;[4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-(4-propan-2-ylbenzoyl)oxyphenyl]sulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(4-methylbenzoyl)oxyphenyl]-diphenylsulfanium;[4-(2,3,4,5,6-pentafluorobenzoyl)oxyphenyl]-diphenylsulfanium
CID 157331384
[4,4-Difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methoxy-4-pentylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylheptyl] prop-2-enoate
CID 157377582

Frequently Asked Questions

What is the IUPAC name of but-1-ene;1-but-3-enoxyheptane;1-(6-but-3-enoxyhexoxy)-4-methylcyclohexane;1-but-3-enoxy-4-methylbenzene;1-but-3-enoxy-4-methylcyclohexane;4-but-3-enyl-1-(3-ethylperoxypropyl)-1-fluorocyclohexane;1-but-3-enyl-4-methylbenzene;1-but-3-enyl-4-methylcyclohexane;1-(but-3-enylperoxymethyl)-4-propylbenzene;1-(but-3-enylperoxymethyl)-4-propylcyclohexane;1-butoxy-4-[(2Z)-hepta-2,6-dienyl]benzene;1-butoxy-4-methylidenecyclohexane;1-butoxy-4-pent-4-enylcyclohexane;butyl 4-but-3-enoxy-2-methylbenzoate;1-butyl-4-prop-2-enylcyclohexane;1,1-difluoro-2-methyl-5-oct-7-enylcyclohexane;ethyl 4-dec-9-enyl-4-methylcyclohexane-1-carboxylate;1-ethyl-4-hept-6-enylsulfanylbenzene;(2-fluoro-4-methylphenyl) icos-19-enoate;hex-1-ene;4-methoxybut-1-ene;1-methyl-4-methylidenecyclohexane;(4-methylphenyl) hept-6-enoate;1-methyl-4-(6-prop-2-enoxyhexoxy)benzene;methyl 4-prop-2-enylbenzoate;pent-1-ene?
The IUPAC name of but-1-ene;1-but-3-enoxyheptane;1-(6-but-3-enoxyhexoxy)-4-methylcyclohexane;1-but-3-enoxy-4-methylbenzene;1-but-3-enoxy-4-methylcyclohexane;4-but-3-enyl-1-(3-ethylperoxypropyl)-1-fluorocyclohexane;1-but-3-enyl-4-methylbenzene;1-but-3-enyl-4-methylcyclohexane;1-(but-3-enylperoxymethyl)-4-propylbenzene;1-(but-3-enylperoxymethyl)-4-propylcyclohexane;1-butoxy-4-[(2Z)-hepta-2,6-dienyl]benzene;1-butoxy-4-methylidenecyclohexane;1-butoxy-4-pent-4-enylcyclohexane;butyl 4-but-3-enoxy-2-methylbenzoate;1-butyl-4-prop-2-enylcyclohexane;1,1-difluoro-2-methyl-5-oct-7-enylcyclohexane;ethyl 4-dec-9-enyl-4-methylcyclohexane-1-carboxylate;1-ethyl-4-hept-6-enylsulfanylbenzene;(2-fluoro-4-methylphenyl) icos-19-enoate;hex-1-ene;4-methoxybut-1-ene;1-methyl-4-methylidenecyclohexane;(4-methylphenyl) hept-6-enoate;1-methyl-4-(6-prop-2-enoxyhexoxy)benzene;methyl 4-prop-2-enylbenzoate;pent-1-ene (CID 157200809) is but-1-ene;1-but-3-enoxyheptane;1-(6-but-3-enoxyhexoxy)-4-methylcyclohexane;1-but-3-enoxy-4-methylbenzene;1-but-3-enoxy-4-methylcyclohexane;4-but-3-enyl-1-(3-ethylperoxypropyl)-1-fluorocyclohexane;1-but-3-enyl-4-methylbenzene;1-but-3-enyl-4-methylcyclohexane;1-(but-3-enylperoxymethyl)-4-propylbenzene;1-(but-3-enylperoxymethyl)-4-propylcyclohexane;1-butoxy-4-[(2Z)-hepta-2,6-dienyl]benzene;1-butoxy-4-methylidenecyclohexane;1-butoxy-4-pent-4-enylcyclohexane;butyl 4-but-3-enoxy-2-methylbenzoate;1-butyl-4-prop-2-enylcyclohexane;1,1-difluoro-2-methyl-5-oct-7-enylcyclohexane;ethyl 4-dec-9-enyl-4-methylcyclohexane-1-carboxylate;1-ethyl-4-hept-6-enylsulfanylbenzene;(2-fluoro-4-methylphenyl) icos-19-enoate;hex-1-ene;4-methoxybut-1-ene;1-methyl-4-methylidenecyclohexane;(4-methylphenyl) hept-6-enoate;1-methyl-4-(6-prop-2-enoxyhexoxy)benzene;methyl 4-prop-2-enylbenzoate;pent-1-ene.
What is the SMILES notation for but-1-ene;1-but-3-enoxyheptane;1-(6-but-3-enoxyhexoxy)-4-methylcyclohexane;1-but-3-enoxy-4-methylbenzene;1-but-3-enoxy-4-methylcyclohexane;4-but-3-enyl-1-(3-ethylperoxypropyl)-1-fluorocyclohexane;1-but-3-enyl-4-methylbenzene;1-but-3-enyl-4-methylcyclohexane;1-(but-3-enylperoxymethyl)-4-propylbenzene;1-(but-3-enylperoxymethyl)-4-propylcyclohexane;1-butoxy-4-[(2Z)-hepta-2,6-dienyl]benzene;1-butoxy-4-methylidenecyclohexane;1-butoxy-4-pent-4-enylcyclohexane;butyl 4-but-3-enoxy-2-methylbenzoate;1-butyl-4-prop-2-enylcyclohexane;1,1-difluoro-2-methyl-5-oct-7-enylcyclohexane;ethyl 4-dec-9-enyl-4-methylcyclohexane-1-carboxylate;1-ethyl-4-hept-6-enylsulfanylbenzene;(2-fluoro-4-methylphenyl) icos-19-enoate;hex-1-ene;4-methoxybut-1-ene;1-methyl-4-methylidenecyclohexane;(4-methylphenyl) hept-6-enoate;1-methyl-4-(6-prop-2-enoxyhexoxy)benzene;methyl 4-prop-2-enylbenzoate;pent-1-ene?
The canonical SMILES for but-1-ene;1-but-3-enoxyheptane;1-(6-but-3-enoxyhexoxy)-4-methylcyclohexane;1-but-3-enoxy-4-methylbenzene;1-but-3-enoxy-4-methylcyclohexane;4-but-3-enyl-1-(3-ethylperoxypropyl)-1-fluorocyclohexane;1-but-3-enyl-4-methylbenzene;1-but-3-enyl-4-methylcyclohexane;1-(but-3-enylperoxymethyl)-4-propylbenzene;1-(but-3-enylperoxymethyl)-4-propylcyclohexane;1-butoxy-4-[(2Z)-hepta-2,6-dienyl]benzene;1-butoxy-4-methylidenecyclohexane;1-butoxy-4-pent-4-enylcyclohexane;butyl 4-but-3-enoxy-2-methylbenzoate;1-butyl-4-prop-2-enylcyclohexane;1,1-difluoro-2-methyl-5-oct-7-enylcyclohexane;ethyl 4-dec-9-enyl-4-methylcyclohexane-1-carboxylate;1-ethyl-4-hept-6-enylsulfanylbenzene;(2-fluoro-4-methylphenyl) icos-19-enoate;hex-1-ene;4-methoxybut-1-ene;1-methyl-4-methylidenecyclohexane;(4-methylphenyl) hept-6-enoate;1-methyl-4-(6-prop-2-enoxyhexoxy)benzene;methyl 4-prop-2-enylbenzoate;pent-1-ene is C=C1CCC(C)CC1.C=C1CCC(OCCCC)CC1.C=CCC.C=CCC/C=C\Cc1ccc(OCCCC)cc1.C=CCC1CCC(CCCC)CC1.C=CCCC.C=CCCC1CCC(C)CC1.C=CCCC1CCC(F)(CCCOOCC)CC1.C=CCCCC.C=CCCCC1CCC(OCCCC)CC1.C=CCCCCC(=O)Oc1ccc(C)cc1.C=CCCCCCCC1CCC(C)C(F)(F)C1.C=CCCCCCCCCC1(C)CCC(C(=O)OCC)CC1.C=CCCCCCCCCCCCCCCCCCC(=O)Oc1ccc(C)cc1F.C=CCCCCCSc1ccc(CC)cc1.C=CCCOC.C=CCCOC1CCC(C)CC1.C=CCCOCCCCCCC.C=CCCOCCCCCCOC1CCC(C)CC1.C=CCCOOCC1CCC(CCC)CC1.C=CCCOOCc1ccc(CCC)cc1.C=CCCOc1ccc(C(=O)OCCCC)c(C)c1.C=CCCOc1ccc(C)cc1.C=CCCc1ccc(C)cc1.C=CCOCCCCCCOc1ccc(C)cc1.C=CCc1ccc(C(=O)OC)cc1.
What is the InChIKey of but-1-ene;1-but-3-enoxyheptane;1-(6-but-3-enoxyhexoxy)-4-methylcyclohexane;1-but-3-enoxy-4-methylbenzene;1-but-3-enoxy-4-methylcyclohexane;4-but-3-enyl-1-(3-ethylperoxypropyl)-1-fluorocyclohexane;1-but-3-enyl-4-methylbenzene;1-but-3-enyl-4-methylcyclohexane;1-(but-3-enylperoxymethyl)-4-propylbenzene;1-(but-3-enylperoxymethyl)-4-propylcyclohexane;1-butoxy-4-[(2Z)-hepta-2,6-dienyl]benzene;1-butoxy-4-methylidenecyclohexane;1-butoxy-4-pent-4-enylcyclohexane;butyl 4-but-3-enoxy-2-methylbenzoate;1-butyl-4-prop-2-enylcyclohexane;1,1-difluoro-2-methyl-5-oct-7-enylcyclohexane;ethyl 4-dec-9-enyl-4-methylcyclohexane-1-carboxylate;1-ethyl-4-hept-6-enylsulfanylbenzene;(2-fluoro-4-methylphenyl) icos-19-enoate;hex-1-ene;4-methoxybut-1-ene;1-methyl-4-methylidenecyclohexane;(4-methylphenyl) hept-6-enoate;1-methyl-4-(6-prop-2-enoxyhexoxy)benzene;methyl 4-prop-2-enylbenzoate;pent-1-ene?
The InChIKey is AQTUMBQUZCISFX-PZFIALDXSA-N. The full InChI is InChI=1S/C27H43FO2.C20H36O2.C17H32O2.C17H24O.C16H22O3.C16H24O2.C15H26F2.C15H27FO2.C15H28O.C15H22S.C14H18O2.C14H26O2.C14H20O2.C13H24.C11H12O2.2C11H20O.C11H14O.C11H22O.C11H20.C11H14.C8H14.C6H12.C5H10O.C5H10.C4H8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(29)30-26-22-21-24(2)23-25(26)28;1-4-6-7-8-9-10-11-12-15-20(3)16-13-18(14-17-20)19(21)22-5-2;1-3-4-13-18-14-7-5-6-8-15-19-17-11-9-16(2)10-12-17;1-3-5-7-8-9-10-16-11-13-17(14-12-16)18-15-6-4-2;1-4-6-10-18-14-8-9-15(13(3)12-14)16(17)19-11-7-5-2;1-3-12-17-13-6-4-5-7-14-18-16-10-8-15(2)9-11-16;1-3-4-5-6-7-8-9-14-11-10-13(2)15(16,17)12-14;1-3-5-7-14-8-11-15(16,12-9-14)10-6-13-18-17-4-2;1-3-5-7-8-14-9-11-15(12-10-14)16-13-6-4-2;1-3-5-6-7-8-13-16-15-11-9-14(4-2)10-12-15;1-3-4-5-6-7-14(15)16-13-10-8-12(2)9-11-13;2*1-3-5-11-15-16-12-14-9-7-13(6-4-2)8-10-14;1-3-5-7-13-10-8-12(6-4-2)9-11-13;1-3-4-9-5-7-10(8-6-9)11(12)13-2;3*1-3-4-9-12-11-7-5-10(2)6-8-11;1-3-5-7-8-9-11-12-10-6-4-2;2*1-3-4-5-11-8-6-10(2)7-9-11;1-7-3-5-8(2)6-4-7;1-3-5-6-4-2;1-3-4-5-6-2;1-3-5-4-2;1-3-4-2/h3,21-23H,1,4-20H2,2H3;4,18H,1,5-17H2,2-3H3;3,16-17H,1,4-15H2,2H3;3,8-9,11-14H,1,4-7,10,15H2,2H3;4,8-9,12H,1,5-7,10-11H2,2-3H3;3,8-11H,1,4-7,12-14H2,2H3;3,13-14H,1,4-12H2,2H3;3,14H,1,4-13H2,2H3;3,14-15H,1,4-13H2,2H3;3,9-12H,1,4-8,13H2,2H3;3,8-11H,1,4-7H2,2H3;3,13-14H,1,4-12H2,2H3;3,7-10H,1,4-6,11-12H2,2H3;4,12-13H,2-3,5-11H2,1H3;3,5-8H,1,4H2,2H3;11H,2-9H2,1H3;3,10-11H,1,4-9H2,2H3;3,5-8H,1,4,9H2,2H3;4H,2-3,5-11H2,1H3;3,10-11H,1,4-9H2,2H3;3,6-9H,1,4-5H2,2H3;8H,1,3-6H2,2H3;3H,1,4-6H2,2H3;3H,1,4-5H2,2H3;3H,1,4-5H2,2H3;3H,1,4H2,2H3/b;;;9-8-;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of but-1-ene;1-but-3-enoxyheptane;1-(6-but-3-enoxyhexoxy)-4-methylcyclohexane;1-but-3-enoxy-4-methylbenzene;1-but-3-enoxy-4-methylcyclohexane;4-but-3-enyl-1-(3-ethylperoxypropyl)-1-fluorocyclohexane;1-but-3-enyl-4-methylbenzene;1-but-3-enyl-4-methylcyclohexane;1-(but-3-enylperoxymethyl)-4-propylbenzene;1-(but-3-enylperoxymethyl)-4-propylcyclohexane;1-butoxy-4-[(2Z)-hepta-2,6-dienyl]benzene;1-butoxy-4-methylidenecyclohexane;1-butoxy-4-pent-4-enylcyclohexane;butyl 4-but-3-enoxy-2-methylbenzoate;1-butyl-4-prop-2-enylcyclohexane;1,1-difluoro-2-methyl-5-oct-7-enylcyclohexane;ethyl 4-dec-9-enyl-4-methylcyclohexane-1-carboxylate;1-ethyl-4-hept-6-enylsulfanylbenzene;(2-fluoro-4-methylphenyl) icos-19-enoate;hex-1-ene;4-methoxybut-1-ene;1-methyl-4-methylidenecyclohexane;(4-methylphenyl) hept-6-enoate;1-methyl-4-(6-prop-2-enoxyhexoxy)benzene;methyl 4-prop-2-enylbenzoate;pent-1-ene?
but-1-ene;1-but-3-enoxyheptane;1-(6-but-3-enoxyhexoxy)-4-methylcyclohexane;1-but-3-enoxy-4-methylbenzene;1-but-3-enoxy-4-methylcyclohexane;4-but-3-enyl-1-(3-ethylperoxypropyl)-1-fluorocyclohexane;1-but-3-enyl-4-methylbenzene;1-but-3-enyl-4-methylcyclohexane;1-(but-3-enylperoxymethyl)-4-propylbenzene;1-(but-3-enylperoxymethyl)-4-propylcyclohexane;1-butoxy-4-[(2Z)-hepta-2,6-dienyl]benzene;1-butoxy-4-methylidenecyclohexane;1-butoxy-4-pent-4-enylcyclohexane;butyl 4-but-3-enoxy-2-methylbenzoate;1-butyl-4-prop-2-enylcyclohexane;1,1-difluoro-2-methyl-5-oct-7-enylcyclohexane;ethyl 4-dec-9-enyl-4-methylcyclohexane-1-carboxylate;1-ethyl-4-hept-6-enylsulfanylbenzene;(2-fluoro-4-methylphenyl) icos-19-enoate;hex-1-ene;4-methoxybut-1-ene;1-methyl-4-methylidenecyclohexane;(4-methylphenyl) hept-6-enoate;1-methyl-4-(6-prop-2-enoxyhexoxy)benzene;methyl 4-prop-2-enylbenzoate;pent-1-ene has a molecular weight of 5108.08 g/mol, XLogP of 100.53, 166 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;1-but-3-enoxyheptane;1-(6-but-3-enoxyhexoxy)-4-methylcyclohexane;1-but-3-enoxy-4-methylbenzene;1-but-3-enoxy-4-methylcyclohexane;4-but-3-enyl-1-(3-ethylperoxypropyl)-1-fluorocyclohexane;1-but-3-enyl-4-methylbenzene;1-but-3-enyl-4-methylcyclohexane;1-(but-3-enylperoxymethyl)-4-propylbenzene;1-(but-3-enylperoxymethyl)-4-propylcyclohexane;1-butoxy-4-[(2Z)-hepta-2,6-dienyl]benzene;1-butoxy-4-methylidenecyclohexane;1-butoxy-4-pent-4-enylcyclohexane;butyl 4-but-3-enoxy-2-methylbenzoate;1-butyl-4-prop-2-enylcyclohexane;1,1-difluoro-2-methyl-5-oct-7-enylcyclohexane;ethyl 4-dec-9-enyl-4-methylcyclohexane-1-carboxylate;1-ethyl-4-hept-6-enylsulfanylbenzene;(2-fluoro-4-methylphenyl) icos-19-enoate;hex-1-ene;4-methoxybut-1-ene;1-methyl-4-methylidenecyclohexane;(4-methylphenyl) hept-6-enoate;1-methyl-4-(6-prop-2-enoxyhexoxy)benzene;methyl 4-prop-2-enylbenzoate;pent-1-ene is sourced from PubChem (CID 157200809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).