[4-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxycyclohexyl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[3-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate

C211H236Cl2O67 — CID 159364679

IUPAC[4-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxycyclohexyl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[3-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate
SMILESC=C(C)C(=O)OCCOCCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCCCCOCC4(C)COC4)cc3)cc2)cc1.C=CC(=O)OCCCCOC(=O)Oc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(OC(=O)OCCCCOC(=O)C=C)c(Cl)c3)CC2)cc1Cl.C=CC(=O)OCCCCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCCCCOCC4(C)COC4)cc3)cc2)cc1.C=CC(=O)OCCOCCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCCCCOCC4(C)COC4)cc3)cc2)cc1.C=CC(=O)OCCOCCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCCCCOCC4(CC)COC4)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3)cc2C)cc1
InChIInChI=1S/2C37H44O11.C36H38Cl2O14.C36H42O11.C36H42O10.C29H26O10/c1-28(2)35(38)45-23-21-40-20-22-44-31-10-12-32(13-11-31)46-27-47-33-14-16-34(17-15-33)48-36(39)29-6-8-30(9-7-29)43-19-5-4-18-41-24-37(3)25-42-26-37;1-3-35(38)45-24-22-40-21-23-44-31-11-13-32(14-12-31)46-28-47-33-15-17-34(18-16-33)48-36(39)29-7-9-30(10-8-29)43-20-6-5-19-41-25-37(4-2)26-42-27-37;1-3-31(39)45-17-5-7-19-47-35(43)51-29-15-9-23(21-27(29)37)33(41)49-25-11-13-26(14-12-25)50-34(42)24-10-16-30(28(38)22-24)52-36(44)48-20-8-6-18-46-32(40)4-2;1-3-34(37)44-23-21-39-20-22-43-30-10-12-31(13-11-30)45-27-46-32-14-16-33(17-15-32)47-35(38)28-6-8-29(9-7-28)42-19-5-4-18-40-24-36(2)25-41-26-36;1-3-34(37)43-23-7-6-22-42-30-12-14-31(15-13-30)44-27-45-32-16-18-33(19-17-32)46-35(38)28-8-10-29(11-9-28)41-21-5-4-20-39-24-36(2)25-40-26-36;1-4-27(30)37-18-34-22-8-6-21(7-9-22)29(32)39-25-14-15-26(20(3)16-25)36-17-33-23-10-12-24(13-11-23)35-19-38-28(31)5-2/h6-17H,1,4-5,18-27H2,2-3H3;3,7-18H,1,4-6,19-28H2,2H3;3-4,9-10,15-16,21-22,25-26H,1-2,5-8,11-14,17-20H2;3,6-17H,1,4-5,18-27H2,2H3;3,8-19H,1,4-7,20-27H2,2H3;4-16H,1-2,17-19H2,3H3
InChIKeyLIYZSOVQWUBZDV-UHFFFAOYSA-N
MW3915.05 g/mol
LogP36.30
Rot. Bonds120

About [4-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxycyclohexyl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[3-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate

[4-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxycyclohexyl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[3-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate (PubChem CID 159364679) has the molecular formula C211H236Cl2O67 and a molecular weight of 3915.05 g/mol. Its IUPAC name is [4-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxycyclohexyl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[3-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate.

Molecular Properties

Compound Name[4-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxycyclohexyl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[3-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate
PubChem CID159364679
Molecular FormulaC211H236Cl2O67
Molecular Weight3915.05 g/mol
Exact Mass3911.44
IUPAC Name[4-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxycyclohexyl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[3-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate
SMILESC=C(C)C(=O)OCCOCCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCCCCOCC4(C)COC4)cc3)cc2)cc1.C=CC(=O)OCCCCOC(=O)Oc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(OC(=O)OCCCCOC(=O)C=C)c(Cl)c3)CC2)cc1Cl.C=CC(=O)OCCCCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCCCCOCC4(C)COC4)cc3)cc2)cc1.C=CC(=O)OCCOCCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCCCCOCC4(C)COC4)cc3)cc2)cc1.C=CC(=O)OCCOCCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCCCCOCC4(CC)COC4)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3)cc2C)cc1
InChIInChI=1S/2C37H44O11.C36H38Cl2O14.C36H42O11.C36H42O10.C29H26O10/c1-28(2)35(38)45-23-21-40-20-22-44-31-10-12-32(13-11-31)46-27-47-33-14-16-34(17-15-33)48-36(39)29-6-8-30(9-7-29)43-19-5-4-18-41-24-37(3)25-42-26-37;1-3-35(38)45-24-22-40-21-23-44-31-11-13-32(14-12-31)46-28-47-33-15-17-34(18-16-33)48-36(39)29-7-9-30(10-8-29)43-20-6-5-19-41-25-37(4-2)26-42-27-37;1-3-31(39)45-17-5-7-19-47-35(43)51-29-15-9-23(21-27(29)37)33(41)49-25-11-13-26(14-12-25)50-34(42)24-10-16-30(28(38)22-24)52-36(44)48-20-8-6-18-46-32(40)4-2;1-3-34(37)44-23-21-39-20-22-43-30-10-12-31(13-11-30)45-27-46-32-14-16-33(17-15-32)47-35(38)28-6-8-29(9-7-28)42-19-5-4-18-40-24-36(2)25-41-26-36;1-3-34(37)43-23-7-6-22-42-30-12-14-31(15-13-30)44-27-45-32-16-18-33(19-17-32)46-35(38)28-8-10-29(11-9-28)41-21-5-4-20-39-24-36(2)25-40-26-36;1-4-27(30)37-18-34-22-8-6-21(7-9-22)29(32)39-25-14-15-26(20(3)16-25)36-17-33-23-10-12-24(13-11-23)35-19-38-28(31)5-2/h6-17H,1,4-5,18-27H2,2-3H3;3,7-18H,1,4-6,19-28H2,2H3;3-4,9-10,15-16,21-22,25-26H,1-2,5-8,11-14,17-20H2;3,6-17H,1,4-5,18-27H2,2H3;3,8-19H,1,4-7,20-27H2,2H3;4-16H,1-2,17-19H2,3H3
InChIKeyLIYZSOVQWUBZDV-UHFFFAOYSA-N
XLogP36.30
TPSA751.69 Ų
H-Bond Donors
H-Bond Acceptors67
Rotatable Bonds120
Heavy Atoms280
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003915.05
LogP ≤ 536.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1067

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxycyclohexyl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[3-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate
CID 158486918
[4-[4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoyl]oxyphenyl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoyl]oxyphenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;4-[(3-methyloxetan-3-yl)methoxy]butyl 4-[4-[4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoyl]oxyphenyl]benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-[4-(oxiran-2-yl)butoxycarbonyl]phenoxy]carbonylphenyl] 4-[4-(oxiran-2-yl)butoxy]benzoate;[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenyl]phenoxy]carbonylphenyl] 3,4-bis(4-prop-2-enoyloxybutoxy)benzoate
CID 157235669
[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate
CID 59741740
[4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl] 2-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoate
CID 59762740
[4-(methoxymethoxy)phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;2-[2-(4-methylphenoxy)ethoxy]ethyl prop-2-enoate
CID 159775497
bis[2-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl] benzene-1,4-dicarboxylate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(8-prop-2-enoyloxyoctoxycarbonyloxy)benzoyl]oxyphenyl] 4-(8-prop-2-enoyloxyoctoxycarbonyloxy)benzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 160744420
[4-(2,4-dimethylphenoxy)carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-(2,4-dimethylphenoxy)carbonylphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[3-methyl-4-[4-[3-(2-methylprop-2-enoyloxy)propoxy]benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 161234150
[4-(2-prop-2-enoyloxyethoxy)phenyl] 4-[4-[(1-ethylcyclobutyl)methoxy]butoxy]benzoate;[4-(2-prop-2-enoyloxyethoxy)phenyl] 4-[(3-ethyloxetan-3-yl)methoxy]benzoate
CID 157156197
[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 162149365
[3-methyl-4-[1-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]ethenoxy]phenyl] 4-(4-prop-2-enoyloxybutoxymethoxy)benzoate
CID 163638227
[3-methyl-4-[4-[3-[(3-methyloxetan-3-yl)methoxy]propoxy]benzoyl]oxyphenyl] 4-[3-[(3-methyloxetan-3-yl)methoxy]propoxy]benzoate
CID 20607881
[2-methyl-4-[4-(2-prop-2-enoyloxyethoxymethoxy)benzoyl]oxyphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate
CID 137454184

Frequently Asked Questions

What is the IUPAC name of [4-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxycyclohexyl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[3-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate?
The IUPAC name of [4-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxycyclohexyl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[3-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate (CID 159364679) is [4-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxycyclohexyl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[3-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate.
What is the SMILES notation for [4-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxycyclohexyl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[3-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate?
The canonical SMILES for [4-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxycyclohexyl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[3-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate is C=C(C)C(=O)OCCOCCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCCCCOCC4(C)COC4)cc3)cc2)cc1.C=CC(=O)OCCCCOC(=O)Oc1ccc(C(=O)OC2CCC(OC(=O)c3ccc(OC(=O)OCCCCOC(=O)C=C)c(Cl)c3)CC2)cc1Cl.C=CC(=O)OCCCCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCCCCOCC4(C)COC4)cc3)cc2)cc1.C=CC(=O)OCCOCCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCCCCOCC4(C)COC4)cc3)cc2)cc1.C=CC(=O)OCCOCCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCCCCOCC4(CC)COC4)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3)cc2C)cc1.
What is the InChIKey of [4-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxycyclohexyl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[3-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate?
The InChIKey is LIYZSOVQWUBZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H44O11.C36H38Cl2O14.C36H42O11.C36H42O10.C29H26O10/c1-28(2)35(38)45-23-21-40-20-22-44-31-10-12-32(13-11-31)46-27-47-33-14-16-34(17-15-33)48-36(39)29-6-8-30(9-7-29)43-19-5-4-18-41-24-37(3)25-42-26-37;1-3-35(38)45-24-22-40-21-23-44-31-11-13-32(14-12-31)46-28-47-33-15-17-34(18-16-33)48-36(39)29-7-9-30(10-8-29)43-20-6-5-19-41-25-37(4-2)26-42-27-37;1-3-31(39)45-17-5-7-19-47-35(43)51-29-15-9-23(21-27(29)37)33(41)49-25-11-13-26(14-12-25)50-34(42)24-10-16-30(28(38)22-24)52-36(44)48-20-8-6-18-46-32(40)4-2;1-3-34(37)44-23-21-39-20-22-43-30-10-12-31(13-11-30)45-27-46-32-14-16-33(17-15-32)47-35(38)28-6-8-29(9-7-28)42-19-5-4-18-40-24-36(2)25-41-26-36;1-3-34(37)43-23-7-6-22-42-30-12-14-31(15-13-30)44-27-45-32-16-18-33(19-17-32)46-35(38)28-8-10-29(11-9-28)41-21-5-4-20-39-24-36(2)25-40-26-36;1-4-27(30)37-18-34-22-8-6-21(7-9-22)29(32)39-25-14-15-26(20(3)16-25)36-17-33-23-10-12-24(13-11-23)35-19-38-28(31)5-2/h6-17H,1,4-5,18-27H2,2-3H3;3,7-18H,1,4-6,19-28H2,2H3;3-4,9-10,15-16,21-22,25-26H,1-2,5-8,11-14,17-20H2;3,6-17H,1,4-5,18-27H2,2H3;3,8-19H,1,4-7,20-27H2,2H3;4-16H,1-2,17-19H2,3H3.
What are the key properties of [4-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxycyclohexyl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[3-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate?
[4-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxycyclohexyl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[3-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate has a molecular weight of 3915.05 g/mol, XLogP of 36.30, 120 rotatable bonds, 0 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxycyclohexyl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[3-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoate;[4-[[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate is sourced from PubChem (CID 159364679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).