1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene

C174H228F24O16 — CID 159104567

IUPAC1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene
SMILESCc1c(/C=C/C2CCCC2)ccc(OC2CCCC2)c1OC(F)(F)F.Cc1c(/C=C/C2CCCC2)ccc(OCC2CCCC2)c1OC(F)(F)F.Cc1c(/C=C/C2CCCC2)ccc(OCCC2CCCC2)c1OC(F)(F)F.Cc1c(C/C=C/C2CCCC2)ccc(OC2CCCC2)c1OC(F)(F)F.Cc1c(C/C=C/C2CCCC2)ccc(OCC2CCCC2)c1OC(F)(F)F.Cc1c(C/C=C/C2CCCC2)ccc(OCCC2CCCC2)c1OC(F)(F)F.Cc1c(CC/C=C/C2CCCC2)ccc(OC2CCCC2)c1OC(F)(F)F.Cc1c(CC/C=C/C2CCCC2)ccc(OCC2CCCC2)c1OC(F)(F)F
InChIInChI=1S/2C23H31F3O2.3C22H29F3O2.2C21H27F3O2.C20H25F3O2/c1-17-20(13-7-6-10-18-8-2-3-9-18)14-15-21(22(17)28-23(24,25)26)27-16-19-11-4-5-12-19;1-17-20(12-6-11-18-7-2-3-8-18)13-14-21(22(17)28-23(24,25)26)27-16-15-19-9-4-5-10-19;1-16-18(11-5-4-10-17-8-2-3-9-17)14-15-20(21(16)27-22(23,24)25)26-19-12-6-7-13-19;1-16-19(12-6-11-17-7-2-3-8-17)13-14-20(21(16)27-22(23,24)25)26-15-18-9-4-5-10-18;1-16-19(11-10-17-6-2-3-7-17)12-13-20(21(16)27-22(23,24)25)26-15-14-18-8-4-5-9-18;1-15-17(10-6-9-16-7-2-3-8-16)13-14-19(20(15)26-21(22,23)24)25-18-11-4-5-12-18;1-15-18(11-10-16-6-2-3-7-16)12-13-19(20(15)26-21(22,23)24)25-14-17-8-4-5-9-17;1-14-16(11-10-15-6-2-3-7-15)12-13-18(19(14)25-20(21,22)23)24-17-8-4-5-9-17/h6,10,14-15,18-19H,2-5,7-9,11-13,16H2,1H3;6,11,13-14,18-19H,2-5,7-10,12,15-16H2,1H3;4,10,14-15,17,19H,2-3,5-9,11-13H2,1H3;6,11,13-14,17-18H,2-5,7-10,12,15H2,1H3;10-13,17-18H,2-9,14-15H2,1H3;6,9,13-14,16,18H,2-5,7-8,10-12H2,1H3;10-13,16-17H,2-9,14H2,1H3;10-13,15,17H,2-9H2,1H3/b10-6+;11-6+;10-4+;11-6+;11-10+;9-6+;2*11-10+
InChIKeyKDSGQVVNTKLCPI-MGYNZLAKSA-N
MW3031.67 g/mol
LogP54.57
Rot. Bonds54

About 1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene

1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene (PubChem CID 159104567) has the molecular formula C174H228F24O16 and a molecular weight of 3031.67 g/mol. Its IUPAC name is 1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene
PubChem CID159104567
Molecular FormulaC174H228F24O16
Molecular Weight3031.67 g/mol
Exact Mass3029.66
IUPAC Name1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene
SMILESCc1c(/C=C/C2CCCC2)ccc(OC2CCCC2)c1OC(F)(F)F.Cc1c(/C=C/C2CCCC2)ccc(OCC2CCCC2)c1OC(F)(F)F.Cc1c(/C=C/C2CCCC2)ccc(OCCC2CCCC2)c1OC(F)(F)F.Cc1c(C/C=C/C2CCCC2)ccc(OC2CCCC2)c1OC(F)(F)F.Cc1c(C/C=C/C2CCCC2)ccc(OCC2CCCC2)c1OC(F)(F)F.Cc1c(C/C=C/C2CCCC2)ccc(OCCC2CCCC2)c1OC(F)(F)F.Cc1c(CC/C=C/C2CCCC2)ccc(OC2CCCC2)c1OC(F)(F)F.Cc1c(CC/C=C/C2CCCC2)ccc(OCC2CCCC2)c1OC(F)(F)F
InChIInChI=1S/2C23H31F3O2.3C22H29F3O2.2C21H27F3O2.C20H25F3O2/c1-17-20(13-7-6-10-18-8-2-3-9-18)14-15-21(22(17)28-23(24,25)26)27-16-19-11-4-5-12-19;1-17-20(12-6-11-18-7-2-3-8-18)13-14-21(22(17)28-23(24,25)26)27-16-15-19-9-4-5-10-19;1-16-18(11-5-4-10-17-8-2-3-9-17)14-15-20(21(16)27-22(23,24)25)26-19-12-6-7-13-19;1-16-19(12-6-11-17-7-2-3-8-17)13-14-20(21(16)27-22(23,24)25)26-15-18-9-4-5-10-18;1-16-19(11-10-17-6-2-3-7-17)12-13-20(21(16)27-22(23,24)25)26-15-14-18-8-4-5-9-18;1-15-17(10-6-9-16-7-2-3-8-16)13-14-19(20(15)26-21(22,23)24)25-18-11-4-5-12-18;1-15-18(11-10-16-6-2-3-7-16)12-13-19(20(15)26-21(22,23)24)25-14-17-8-4-5-9-17;1-14-16(11-10-15-6-2-3-7-15)12-13-18(19(14)25-20(21,22)23)24-17-8-4-5-9-17/h6,10,14-15,18-19H,2-5,7-9,11-13,16H2,1H3;6,11,13-14,18-19H,2-5,7-10,12,15-16H2,1H3;4,10,14-15,17,19H,2-3,5-9,11-13H2,1H3;6,11,13-14,17-18H,2-5,7-10,12,15H2,1H3;10-13,17-18H,2-9,14-15H2,1H3;6,9,13-14,16,18H,2-5,7-8,10-12H2,1H3;10-13,16-17H,2-9,14H2,1H3;10-13,15,17H,2-9H2,1H3/b10-6+;11-6+;10-4+;11-6+;11-10+;9-6+;2*11-10+
InChIKeyKDSGQVVNTKLCPI-MGYNZLAKSA-N
XLogP54.57
TPSA147.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds54
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003031.67
LogP ≤ 554.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene with MolForge

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Related Compounds

1-(2-cyclopentylethoxy)-4-(cyclopentylmethyl)-2-fluoro-3-methylbenzene;1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-2-fluoro-3-methylbenzene;1-(cyclopentylmethyl)-4-cyclopentyloxy-3-fluoro-2-methylbenzene;1-[(E)-4-cyclopropylbut-3-enyl]-4-(2-cyclopropylethoxy)-3-fluoro-2-methylbenzene;1-[(E)-4-cyclopropylbut-3-enyl]-4-(cyclopropylmethoxy)-3-fluoro-2-methylbenzene;1-[(E)-2-cyclopropylethenyl]-4-(cyclopropylmethoxy)-3-fluoro-2-methylbenzene;1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-3-fluoro-2-methylbenzene;1-(cyclopropylmethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene;1-cyclopropyloxy-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene
CID 159453388
1-(cyclobutylmethoxy)-4-[(E)-3-cyclobutylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene
CID 161037979
1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene
CID 157180852
1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene;1-(cyclobutylmethoxy)-4-[(E)-2-cyclopentylethenyl]-2,3-difluorobenzene;1-(cyclobutylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-2,3-difluorobenzene;1-cyclobutyloxy-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene;1-cyclobutyloxy-4-[(E)-2-cyclopentylethenyl]-2,3-difluorobenzene;1-cyclobutyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-2,3-difluorobenzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene;1-[(E)-3-cyclopentylprop-2-enyl]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene
CID 161240054
1-cyclopentyl-4-(2-cyclopentylethoxy)-2-fluoro-3-(trifluoromethoxy)benzene;1-cyclopentyl-4-(cyclopentylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene;1-cyclopentyl-4-cyclopentyloxy-2-fluoro-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene;1-(cyclopentylmethyl)-4-cyclopentyloxy-2-fluoro-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2-fluoro-3-(trifluoromethoxy)benzene;1-cyclopropyloxy-4-[(E)-3-cyclopropylprop-2-enyl]-3-fluoro-2-(trifluoromethoxy)benzene
CID 159603887
1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene
CID 148649365
1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-fluoro-2-(trifluoromethoxy)benzene
CID 148983725
1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene
CID 162061698
1-(cyclobutylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-2-fluoro-3-methylbenzene
CID 157197964
1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene
CID 153282642
1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282615
1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene
CID 159641659

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene (CID 159104567) is 1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene is Cc1c(/C=C/C2CCCC2)ccc(OC2CCCC2)c1OC(F)(F)F.Cc1c(/C=C/C2CCCC2)ccc(OCC2CCCC2)c1OC(F)(F)F.Cc1c(/C=C/C2CCCC2)ccc(OCCC2CCCC2)c1OC(F)(F)F.Cc1c(C/C=C/C2CCCC2)ccc(OC2CCCC2)c1OC(F)(F)F.Cc1c(C/C=C/C2CCCC2)ccc(OCC2CCCC2)c1OC(F)(F)F.Cc1c(C/C=C/C2CCCC2)ccc(OCCC2CCCC2)c1OC(F)(F)F.Cc1c(CC/C=C/C2CCCC2)ccc(OC2CCCC2)c1OC(F)(F)F.Cc1c(CC/C=C/C2CCCC2)ccc(OCC2CCCC2)c1OC(F)(F)F.
What is the InChIKey of 1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene?
The InChIKey is KDSGQVVNTKLCPI-MGYNZLAKSA-N. The full InChI is InChI=1S/2C23H31F3O2.3C22H29F3O2.2C21H27F3O2.C20H25F3O2/c1-17-20(13-7-6-10-18-8-2-3-9-18)14-15-21(22(17)28-23(24,25)26)27-16-19-11-4-5-12-19;1-17-20(12-6-11-18-7-2-3-8-18)13-14-21(22(17)28-23(24,25)26)27-16-15-19-9-4-5-10-19;1-16-18(11-5-4-10-17-8-2-3-9-17)14-15-20(21(16)27-22(23,24)25)26-19-12-6-7-13-19;1-16-19(12-6-11-17-7-2-3-8-17)13-14-20(21(16)27-22(23,24)25)26-15-18-9-4-5-10-18;1-16-19(11-10-17-6-2-3-7-17)12-13-20(21(16)27-22(23,24)25)26-15-14-18-8-4-5-9-18;1-15-17(10-6-9-16-7-2-3-8-16)13-14-19(20(15)26-21(22,23)24)25-18-11-4-5-12-18;1-15-18(11-10-16-6-2-3-7-16)12-13-19(20(15)26-21(22,23)24)25-14-17-8-4-5-9-17;1-14-16(11-10-15-6-2-3-7-15)12-13-18(19(14)25-20(21,22)23)24-17-8-4-5-9-17/h6,10,14-15,18-19H,2-5,7-9,11-13,16H2,1H3;6,11,13-14,18-19H,2-5,7-10,12,15-16H2,1H3;4,10,14-15,17,19H,2-3,5-9,11-13H2,1H3;6,11,13-14,17-18H,2-5,7-10,12,15H2,1H3;10-13,17-18H,2-9,14-15H2,1H3;6,9,13-14,16,18H,2-5,7-8,10-12H2,1H3;10-13,16-17H,2-9,14H2,1H3;10-13,15,17H,2-9H2,1H3/b10-6+;11-6+;10-4+;11-6+;11-10+;9-6+;2*11-10+.
What are the key properties of 1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene?
1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene has a molecular weight of 3031.67 g/mol, XLogP of 54.57, 54 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 159104567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).