ethane;[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-propylbenzoate

C231H264O51 — CID 158080239

IUPACethane;[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-propylbenzoate
SMILESC=C(C)C(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCC)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCCC)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C33H36O7.C32H34O7.C31H32O8.C31H32O7.C30H30O8.C30H28O7.C30H30O7.7C2H6/c1-3-5-10-25-11-13-26(14-12-25)32(35)39-29-19-21-30(22-20-29)40-33(36)27-15-17-28(18-16-27)37-23-8-6-7-9-24-38-31(34)4-2;1-3-9-24-10-12-25(13-11-24)31(34)38-28-18-20-29(21-19-28)39-32(35)26-14-16-27(17-15-26)36-22-7-5-6-8-23-37-30(33)4-2;1-3-29(32)37-22-8-6-5-7-21-36-26-15-11-24(12-16-26)31(34)39-28-19-17-27(18-20-28)38-30(33)23-9-13-25(14-10-23)35-4-2;1-3-23-9-11-24(12-10-23)30(33)37-27-17-19-28(20-18-27)38-31(34)25-13-15-26(16-14-25)35-21-7-5-6-8-22-36-29(32)4-2;1-3-28(31)36-21-7-5-4-6-20-35-25-14-10-23(11-15-25)30(33)38-27-18-16-26(17-19-27)37-29(32)22-8-12-24(34-2)13-9-22;1-22(2)29(32)35-21-7-6-20-34-25-13-11-24(12-14-25)30(33)37-27-17-15-26(16-18-27)36-28(31)19-10-23-8-4-3-5-9-23;1-3-28(31)35-21-7-5-4-6-20-34-25-14-12-24(13-15-25)30(33)37-27-18-16-26(17-19-27)36-29(32)23-10-8-22(2)9-11-23;7*1-2/h4,11-22H,2-3,5-10,23-24H2,1H3;4,10-21H,2-3,5-9,22-23H2,1H3;3,9-20H,1,4-8,21-22H2,2H3;4,9-20H,2-3,5-8,21-22H2,1H3;3,8-19H,1,4-7,20-21H2,2H3;3-5,8-19H,1,6-7,20-21H2,2H3;3,8-19H,1,4-7,20-21H2,2H3;7*1-2H3/b;;;;;19-10+;;;;;;;;
InChIKeyFMWFLJDKNPDSSA-VZVGLJMKSA-N
MW3856.60 g/mol
LogP51.32
Rot. Bonds99

About ethane;[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-propylbenzoate

ethane;[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-propylbenzoate (PubChem CID 158080239) has the molecular formula C231H264O51 and a molecular weight of 3856.60 g/mol. Its IUPAC name is ethane;[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-propylbenzoate.

Molecular Properties

Compound Nameethane;[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-propylbenzoate
PubChem CID158080239
Molecular FormulaC231H264O51
Molecular Weight3856.60 g/mol
Exact Mass3853.81
IUPAC Nameethane;[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-propylbenzoate
SMILESC=C(C)C(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCC)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCCC)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C33H36O7.C32H34O7.C31H32O8.C31H32O7.C30H30O8.C30H28O7.C30H30O7.7C2H6/c1-3-5-10-25-11-13-26(14-12-25)32(35)39-29-19-21-30(22-20-29)40-33(36)27-15-17-28(18-16-27)37-23-8-6-7-9-24-38-31(34)4-2;1-3-9-24-10-12-25(13-11-24)31(34)38-28-18-20-29(21-19-28)39-32(35)26-14-16-27(17-15-26)36-22-7-5-6-8-23-37-30(33)4-2;1-3-29(32)37-22-8-6-5-7-21-36-26-15-11-24(12-16-26)31(34)39-28-19-17-27(18-20-28)38-30(33)23-9-13-25(14-10-23)35-4-2;1-3-23-9-11-24(12-10-23)30(33)37-27-17-19-28(20-18-27)38-31(34)25-13-15-26(16-14-25)35-21-7-5-6-8-22-36-29(32)4-2;1-3-28(31)36-21-7-5-4-6-20-35-25-14-10-23(11-15-25)30(33)38-27-18-16-26(17-19-27)37-29(32)22-8-12-24(34-2)13-9-22;1-22(2)29(32)35-21-7-6-20-34-25-13-11-24(12-14-25)30(33)37-27-17-15-26(16-18-27)36-28(31)19-10-23-8-4-3-5-9-23;1-3-28(31)35-21-7-5-4-6-20-34-25-14-12-24(13-15-25)30(33)37-27-18-16-26(17-19-27)36-29(32)23-10-8-22(2)9-11-23;7*1-2/h4,11-22H,2-3,5-10,23-24H2,1H3;4,10-21H,2-3,5-9,22-23H2,1H3;3,9-20H,1,4-8,21-22H2,2H3;4,9-20H,2-3,5-8,21-22H2,1H3;3,8-19H,1,4-7,20-21H2,2H3;3-5,8-19H,1,6-7,20-21H2,2H3;3,8-19H,1,4-7,20-21H2,2H3;7*1-2H3/b;;;;;19-10+;;;;;;;;
InChIKeyFMWFLJDKNPDSSA-VZVGLJMKSA-N
XLogP51.32
TPSA635.37 Ų
H-Bond Donors
H-Bond Acceptors51
Rotatable Bonds99
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003856.60
LogP ≤ 551.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1051

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': 'phenol_ester', 'substructure': 'N/A'}

Analyze ethane;[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-propylbenzoate 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

ethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate
CID 162074025
methoxymethane;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-propylbenzoate
CID 157170945
[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate
CID 101373256
[4-(4-butylbenzoyl)oxy-3-methylphenyl] 4-butylbenzoate;[4-(4-ethoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-(4-ethylbenzoyl)oxy-3-methylphenyl] 4-ethylbenzoate;[4-(4-methoxybenzoyl)oxy-3-methylphenyl] 4-methylbenzoate;[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-3-methylphenyl] (E)-3-(4-methylphenyl)prop-2-enoate;[3-methyl-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;[3-methyl-4-(4-phenylbenzoyl)oxyphenyl] 4-phenylbenzoate;[3-methyl-4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] (E)-3-phenylprop-2-enoate;[3-methyl-4-(4-propylbenzoyl)oxyphenyl] 4-propylbenzoate
CID 158888074
[4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 158853417
[4-[(E)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-hexoxybenzoate
CID 70290865
[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 154601614
6-[4-[(E)-3-(4-methoxyphenoxy)-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 100959401
[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-octylbenzoate
CID 118216311
[4-[2-(4-propylphenyl)ethynyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 118423674
6-[4-[4-[9-[(E)-3-phenylprop-2-enoyl]oxynonoxy]phenyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 101433036
[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 101360108

Frequently Asked Questions

What is the IUPAC name of ethane;[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-propylbenzoate?
The IUPAC name of ethane;[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-propylbenzoate (CID 158080239) is ethane;[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-propylbenzoate.
What is the SMILES notation for ethane;[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-propylbenzoate?
The canonical SMILES for ethane;[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-propylbenzoate is C=C(C)C(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CC)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCC)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCCC)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1.CC.CC.CC.CC.CC.CC.CC.
What is the InChIKey of ethane;[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-propylbenzoate?
The InChIKey is FMWFLJDKNPDSSA-VZVGLJMKSA-N. The full InChI is InChI=1S/C33H36O7.C32H34O7.C31H32O8.C31H32O7.C30H30O8.C30H28O7.C30H30O7.7C2H6/c1-3-5-10-25-11-13-26(14-12-25)32(35)39-29-19-21-30(22-20-29)40-33(36)27-15-17-28(18-16-27)37-23-8-6-7-9-24-38-31(34)4-2;1-3-9-24-10-12-25(13-11-24)31(34)38-28-18-20-29(21-19-28)39-32(35)26-14-16-27(17-15-26)36-22-7-5-6-8-23-37-30(33)4-2;1-3-29(32)37-22-8-6-5-7-21-36-26-15-11-24(12-16-26)31(34)39-28-19-17-27(18-20-28)38-30(33)23-9-13-25(14-10-23)35-4-2;1-3-23-9-11-24(12-10-23)30(33)37-27-17-19-28(20-18-27)38-31(34)25-13-15-26(16-14-25)35-21-7-5-6-8-22-36-29(32)4-2;1-3-28(31)36-21-7-5-4-6-20-35-25-14-10-23(11-15-25)30(33)38-27-18-16-26(17-19-27)37-29(32)22-8-12-24(34-2)13-9-22;1-22(2)29(32)35-21-7-6-20-34-25-13-11-24(12-14-25)30(33)37-27-17-15-26(16-18-27)36-28(31)19-10-23-8-4-3-5-9-23;1-3-28(31)35-21-7-5-4-6-20-34-25-14-12-24(13-15-25)30(33)37-27-18-16-26(17-19-27)36-29(32)23-10-8-22(2)9-11-23;7*1-2/h4,11-22H,2-3,5-10,23-24H2,1H3;4,10-21H,2-3,5-9,22-23H2,1H3;3,9-20H,1,4-8,21-22H2,2H3;4,9-20H,2-3,5-8,21-22H2,1H3;3,8-19H,1,4-7,20-21H2,2H3;3-5,8-19H,1,6-7,20-21H2,2H3;3,8-19H,1,4-7,20-21H2,2H3;7*1-2H3/b;;;;;19-10+;;;;;;;;.
What are the key properties of ethane;[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-propylbenzoate?
ethane;[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-propylbenzoate has a molecular weight of 3856.60 g/mol, XLogP of 51.32, 99 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl] 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-propylbenzoate is sourced from PubChem (CID 158080239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).