[4-[(E)-3-(4-acetyloxybutoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(6-acetyloxyhexoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(1,1,2,2,2-pentafluoroethoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate

C148H140F32O34 — CID 161423550

IUPAC[4-[(E)-3-(4-acetyloxybutoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(6-acetyloxyhexoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(1,1,2,2,2-pentafluoroethoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate
SMILESCC(=O)OCCCCCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)C(F)(F)F)cc2)cc1.CC(=O)OCCCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2)cc1.CCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)C(F)(F)C(F)(F)F)cc2)cc1.CCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)C(F)(F)F)cc2)cc1.CCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OC(F)(F)C(F)(F)F)cc2)cc1.CCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)C(F)(F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C29H31F5O7.C26H27F3O7.C25H23F7O5.C24H21F7O5.C24H23F5O5.C20H15F5O5/c1-21(35)38-18-4-2-3-5-19-40-26(36)16-9-22-7-12-25(13-8-22)41-27(37)23-10-14-24(15-11-23)39-20-6-17-28(30,31)29(32,33)34;1-19(30)33-16-2-3-17-35-24(31)14-7-20-5-10-23(11-6-20)36-25(32)21-8-12-22(13-9-21)34-18-4-15-26(27,28)29;1-2-15-36-21(33)13-6-17-4-9-20(10-5-17)37-22(34)18-7-11-19(12-8-18)35-16-3-14-23(26,27)24(28,29)25(30,31)32;1-2-34-20(32)13-6-16-4-9-19(10-5-16)36-21(33)17-7-11-18(12-8-17)35-15-3-14-22(25,26)23(27,28)24(29,30)31;1-2-15-33-21(30)13-6-17-4-9-20(10-5-17)34-22(31)18-7-11-19(12-8-18)32-16-3-14-23(25,26)24(27,28)29;1-2-28-17(26)12-5-13-3-8-15(9-4-13)29-18(27)14-6-10-16(11-7-14)30-20(24,25)19(21,22)23/h7-16H,2-6,17-20H2,1H3;5-14H,2-4,15-18H2,1H3;4-13H,2-3,14-16H2,1H3;4-13H,2-3,14-15H2,1H3;4-13H,2-3,14-16H2,1H3;3-12H,2H2,1H3/b16-9+;14-7+;3*13-6+;12-5+
InChIKeyVXBAMAZIGAGKLS-XPMDBQDUSA-N
MW3070.65 g/mol
LogP37.05
Rot. Bonds70

About [4-[(E)-3-(4-acetyloxybutoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(6-acetyloxyhexoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(1,1,2,2,2-pentafluoroethoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate

[4-[(E)-3-(4-acetyloxybutoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(6-acetyloxyhexoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(1,1,2,2,2-pentafluoroethoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate (PubChem CID 161423550) has the molecular formula C148H140F32O34 and a molecular weight of 3070.65 g/mol. Its IUPAC name is [4-[(E)-3-(4-acetyloxybutoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(6-acetyloxyhexoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(1,1,2,2,2-pentafluoroethoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate.

Molecular Properties

Compound Name[4-[(E)-3-(4-acetyloxybutoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(6-acetyloxyhexoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(1,1,2,2,2-pentafluoroethoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate
PubChem CID161423550
Molecular FormulaC148H140F32O34
Molecular Weight3070.65 g/mol
Exact Mass3068.87
IUPAC Name[4-[(E)-3-(4-acetyloxybutoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(6-acetyloxyhexoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(1,1,2,2,2-pentafluoroethoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate
SMILESCC(=O)OCCCCCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)C(F)(F)F)cc2)cc1.CC(=O)OCCCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2)cc1.CCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)C(F)(F)C(F)(F)F)cc2)cc1.CCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)C(F)(F)F)cc2)cc1.CCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OC(F)(F)C(F)(F)F)cc2)cc1.CCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)C(F)(F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C29H31F5O7.C26H27F3O7.C25H23F7O5.C24H21F7O5.C24H23F5O5.C20H15F5O5/c1-21(35)38-18-4-2-3-5-19-40-26(36)16-9-22-7-12-25(13-8-22)41-27(37)23-10-14-24(15-11-23)39-20-6-17-28(30,31)29(32,33)34;1-19(30)33-16-2-3-17-35-24(31)14-7-20-5-10-23(11-6-20)36-25(32)21-8-12-22(13-9-21)34-18-4-15-26(27,28)29;1-2-15-36-21(33)13-6-17-4-9-20(10-5-17)37-22(34)18-7-11-19(12-8-18)35-16-3-14-23(26,27)24(28,29)25(30,31)32;1-2-34-20(32)13-6-16-4-9-19(10-5-16)36-21(33)17-7-11-18(12-8-17)35-15-3-14-22(25,26)23(27,28)24(29,30)31;1-2-15-33-21(30)13-6-17-4-9-20(10-5-17)34-22(31)18-7-11-19(12-8-18)32-16-3-14-23(25,26)24(27,28)29;1-2-28-17(26)12-5-13-3-8-15(9-4-13)29-18(27)14-6-10-16(11-7-14)30-20(24,25)19(21,22)23/h7-16H,2-6,17-20H2,1H3;5-14H,2-4,15-18H2,1H3;4-13H,2-3,14-16H2,1H3;4-13H,2-3,14-15H2,1H3;4-13H,2-3,14-16H2,1H3;3-12H,2H2,1H3/b16-9+;14-7+;3*13-6+;12-5+
InChIKeyVXBAMAZIGAGKLS-XPMDBQDUSA-N
XLogP37.05
TPSA423.58 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds70
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003070.65
LogP ≤ 537.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[(E)-3-(4-acetyloxybutoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(6-acetyloxyhexoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(1,1,2,2,2-pentafluoroethoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate with MolForge

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Launch Full Analysis

Related Compounds

[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate
CID 130286891
[4-[(E)-3-(6-methoxyhexoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate
CID 154967249
[4-(3-hexoxy-3-oxoprop-1-enyl)phenyl] 4-(5,5,5-trifluoropentoxy)benzoate
CID 91482458
6-[3-[4-[4-(4,4,5,5,5-pentafluoropentoxy)benzoyl]oxyphenyl]prop-2-enoyloxy]hexyl 3,5-diaminobenzoate
CID 76720961
[4-[3-(2-ethoxyethoxy)-3-oxoprop-1-enyl]phenyl] 4-(6,6,6-trifluorohexoxy)benzoate
CID 91803918
[4-[3-[2-(2-ethoxyethoxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-(6,6,6-trifluorohexoxy)benzoate
CID 91455951
7-[(E)-3-[4-[4-(4,4,4-trifluorobutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxyheptyl 3,5-diaminobenzoate
CID 66822365
4-[3-[4-[4-(4,4,4-trifluorobutoxy)benzoyl]oxyphenyl]prop-2-enoyloxy]butyl 3,5-diaminobenzoate
CID 66822873
8-[3-[4-[4-(5,5,5-trifluoropentoxy)benzoyl]oxyphenyl]prop-2-enoyloxy]octyl 3,5-diaminobenzoate
CID 66823122
6-[(E)-3-[4-[4-(2,2,3,3,3-pentafluoropropoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxyhexyl 3,5-dimethylbenzoate
CID 153427765
4,4,5,5,5-pentafluoropentyl (E)-3-(4-acetyloxyphenyl)prop-2-enoate
CID 154318664
[4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 4-(1,1,2,2,2-pentafluoroethoxy)benzoate
CID 154967135

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-3-(4-acetyloxybutoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(6-acetyloxyhexoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(1,1,2,2,2-pentafluoroethoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate?
The IUPAC name of [4-[(E)-3-(4-acetyloxybutoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(6-acetyloxyhexoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(1,1,2,2,2-pentafluoroethoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate (CID 161423550) is [4-[(E)-3-(4-acetyloxybutoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(6-acetyloxyhexoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(1,1,2,2,2-pentafluoroethoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate.
What is the SMILES notation for [4-[(E)-3-(4-acetyloxybutoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(6-acetyloxyhexoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(1,1,2,2,2-pentafluoroethoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate?
The canonical SMILES for [4-[(E)-3-(4-acetyloxybutoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(6-acetyloxyhexoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(1,1,2,2,2-pentafluoroethoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate is CC(=O)OCCCCCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)C(F)(F)F)cc2)cc1.CC(=O)OCCCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2)cc1.CCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)C(F)(F)C(F)(F)F)cc2)cc1.CCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)C(F)(F)F)cc2)cc1.CCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OC(F)(F)C(F)(F)F)cc2)cc1.CCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)C(F)(F)C(F)(F)F)cc2)cc1.
What is the InChIKey of [4-[(E)-3-(4-acetyloxybutoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(6-acetyloxyhexoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(1,1,2,2,2-pentafluoroethoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate?
The InChIKey is VXBAMAZIGAGKLS-XPMDBQDUSA-N. The full InChI is InChI=1S/C29H31F5O7.C26H27F3O7.C25H23F7O5.C24H21F7O5.C24H23F5O5.C20H15F5O5/c1-21(35)38-18-4-2-3-5-19-40-26(36)16-9-22-7-12-25(13-8-22)41-27(37)23-10-14-24(15-11-23)39-20-6-17-28(30,31)29(32,33)34;1-19(30)33-16-2-3-17-35-24(31)14-7-20-5-10-23(11-6-20)36-25(32)21-8-12-22(13-9-21)34-18-4-15-26(27,28)29;1-2-15-36-21(33)13-6-17-4-9-20(10-5-17)37-22(34)18-7-11-19(12-8-18)35-16-3-14-23(26,27)24(28,29)25(30,31)32;1-2-34-20(32)13-6-16-4-9-19(10-5-16)36-21(33)17-7-11-18(12-8-17)35-15-3-14-22(25,26)23(27,28)24(29,30)31;1-2-15-33-21(30)13-6-17-4-9-20(10-5-17)34-22(31)18-7-11-19(12-8-18)32-16-3-14-23(25,26)24(27,28)29;1-2-28-17(26)12-5-13-3-8-15(9-4-13)29-18(27)14-6-10-16(11-7-14)30-20(24,25)19(21,22)23/h7-16H,2-6,17-20H2,1H3;5-14H,2-4,15-18H2,1H3;4-13H,2-3,14-16H2,1H3;4-13H,2-3,14-15H2,1H3;4-13H,2-3,14-16H2,1H3;3-12H,2H2,1H3/b16-9+;14-7+;3*13-6+;12-5+.
What are the key properties of [4-[(E)-3-(4-acetyloxybutoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(6-acetyloxyhexoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(1,1,2,2,2-pentafluoroethoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate?
[4-[(E)-3-(4-acetyloxybutoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(6-acetyloxyhexoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(1,1,2,2,2-pentafluoroethoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate has a molecular weight of 3070.65 g/mol, XLogP of 37.05, 70 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-3-(4-acetyloxybutoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(6-acetyloxyhexoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(1,1,2,2,2-pentafluoroethoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-oxo-3-propoxyprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate is sourced from PubChem (CID 161423550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).