bis(bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);ethane;[4-(4-hexoxycyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(1-O-(4-hexylphenyl) 4-O-[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);bis([4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate);[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxyphenyl] 4-hexoxybenzoate

C238H280O58 — CID 161042162

IUPACbis(bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);ethane;[4-(4-hexoxycyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(1-O-(4-hexylphenyl) 4-O-[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);bis([4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate);[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxyphenyl] 4-hexoxybenzoate
SMILESC=CC(=O)OCOC1CCC(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCC)cc3)cc2)CC1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)C3CCC(CCCCC)CC3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)C3CCC(CCCCC)CC3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)C3CCC(OCCCCCC)CC3)cc2)cc1.C=CC(=O)OCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(CCCCCC)cc3)CC2)cc1.C=CC(=O)OCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(CCCCCC)cc3)CC2)cc1.C=CC(=O)OCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(COC(=O)C=C)cc3)CC2)cc1.C=CC(=O)OCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(COC(=O)C=C)cc3)CC2)cc1.CC.CC
InChIInChI=1S/2C30H36O8.2C30H36O6.2C29H34O7.2C28H28O8.2C2H6/c2*1-3-5-6-7-20-34-24-12-8-22(9-13-24)29(32)37-26-16-18-27(19-17-26)38-30(33)23-10-14-25(15-11-23)35-21-36-28(31)4-2;2*1-3-5-6-7-8-22-9-17-26(18-10-22)35-29(32)24-13-15-25(16-14-24)30(33)36-27-19-11-23(12-20-27)21-34-28(31)4-2;2*1-3-5-6-7-21-8-10-22(11-9-21)28(31)35-25-16-18-26(19-17-25)36-29(32)23-12-14-24(15-13-23)33-20-34-27(30)4-2;2*1-3-25(29)33-17-19-5-13-23(14-6-19)35-27(31)21-9-11-22(12-10-21)28(32)36-24-15-7-20(8-16-24)18-34-26(30)4-2;2*1-2/h4,10-11,14-19,22,24H,2-3,5-9,12-13,20-21H2,1H3;4,8-9,12-13,16-19,23,25H,2-3,5-7,10-11,14-15,20-21H2,1H3;2*4,9-12,17-20,24-25H,2-3,5-8,13-16,21H2,1H3;2*4,12-19,21-22H,2-3,5-11,20H2,1H3;2*3-8,13-16,21-22H,1-2,9-12,17-18H2;2*1-2H3
InChIKeyUBAFWXFSUOHHBX-UHFFFAOYSA-N
MW4068.80 g/mol
LogP48.28
Rot. Bonds96

About bis(bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);ethane;[4-(4-hexoxycyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(1-O-(4-hexylphenyl) 4-O-[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);bis([4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate);[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxyphenyl] 4-hexoxybenzoate

bis(bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);ethane;[4-(4-hexoxycyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(1-O-(4-hexylphenyl) 4-O-[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);bis([4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate);[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxyphenyl] 4-hexoxybenzoate (PubChem CID 161042162) has the molecular formula C238H280O58 and a molecular weight of 4068.80 g/mol. Its IUPAC name is bis(bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);ethane;[4-(4-hexoxycyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(1-O-(4-hexylphenyl) 4-O-[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);bis([4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate);[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxyphenyl] 4-hexoxybenzoate.

Molecular Properties

Compound Namebis(bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);ethane;[4-(4-hexoxycyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(1-O-(4-hexylphenyl) 4-O-[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);bis([4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate);[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxyphenyl] 4-hexoxybenzoate
PubChem CID161042162
Molecular FormulaC238H280O58
Molecular Weight4068.80 g/mol
Exact Mass4065.90
IUPAC Namebis(bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);ethane;[4-(4-hexoxycyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(1-O-(4-hexylphenyl) 4-O-[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);bis([4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate);[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxyphenyl] 4-hexoxybenzoate
SMILESC=CC(=O)OCOC1CCC(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCC)cc3)cc2)CC1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)C3CCC(CCCCC)CC3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)C3CCC(CCCCC)CC3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)C3CCC(OCCCCCC)CC3)cc2)cc1.C=CC(=O)OCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(CCCCCC)cc3)CC2)cc1.C=CC(=O)OCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(CCCCCC)cc3)CC2)cc1.C=CC(=O)OCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(COC(=O)C=C)cc3)CC2)cc1.C=CC(=O)OCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(COC(=O)C=C)cc3)CC2)cc1.CC.CC
InChIInChI=1S/2C30H36O8.2C30H36O6.2C29H34O7.2C28H28O8.2C2H6/c2*1-3-5-6-7-20-34-24-12-8-22(9-13-24)29(32)37-26-16-18-27(19-17-26)38-30(33)23-10-14-25(15-11-23)35-21-36-28(31)4-2;2*1-3-5-6-7-8-22-9-17-26(18-10-22)35-29(32)24-13-15-25(16-14-24)30(33)36-27-19-11-23(12-20-27)21-34-28(31)4-2;2*1-3-5-6-7-21-8-10-22(11-9-21)28(31)35-25-16-18-26(19-17-25)36-29(32)23-12-14-24(15-13-23)33-20-34-27(30)4-2;2*1-3-25(29)33-17-19-5-13-23(14-6-19)35-27(31)21-9-11-22(12-10-21)28(32)36-24-15-7-20(8-16-24)18-34-26(30)4-2;2*1-2/h4,10-11,14-19,22,24H,2-3,5-9,12-13,20-21H2,1H3;4,8-9,12-13,16-19,23,25H,2-3,5-7,10-11,14-15,20-21H2,1H3;2*4,9-12,17-20,24-25H,2-3,5-8,13-16,21H2,1H3;2*4,12-19,21-22H,2-3,5-11,20H2,1H3;2*3-8,13-16,21-22H,1-2,9-12,17-18H2;2*1-2H3
InChIKeyUBAFWXFSUOHHBX-UHFFFAOYSA-N
XLogP48.28
TPSA739.18 Ų
H-Bond Donors
H-Bond Acceptors58
Rotatable Bonds96
Heavy Atoms296
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004068.80
LogP ≤ 548.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1058

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 bis(bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);ethane;[4-(4-hexoxycyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(1-O-(4-hexylphenyl) 4-O-[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);bis([4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate);[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxyphenyl] 4-hexoxybenzoate with MolForge

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Related Compounds

[4-(4-hexylphenoxy)carbonylcyclohexyl] 4-(6-prop-2-enoyloxyhexyl)benzoate
CID 118528796
4-O-[6-oxo-6-[6-oxo-6-[6-oxo-6-[6-oxo-6-[6-oxo-6-[6-oxo-6-[6-oxo-6-[6-oxo-6-[8-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenoxy]carbonylphenoxy]octoxy]hexoxy]hexoxy]hexoxy]hexoxy]hexoxy]hexoxy]hexoxy]hexyl] 1-O-[8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxyphenoxy]carbonylphenoxy]octyl] butanedioate
CID 162775589
[4-(4-hex-5-enylcyclohexanecarbonyl)oxyphenyl] 4-octoxybenzoate
CID 54220807
[4-(4-hexylcyclohexyl)phenyl] 4-(3-prop-2-enoyloxypropoxy)cyclohexane-1-carboxylate
CID 147715552
1-O-(4-hexylphenyl) 4-O-[4-(6-prop-2-enoyloxyhexyl)phenyl] cyclohexane-1,4-dicarboxylate
CID 59386500
[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-[4-(4-pentylcyclohexyl)phenyl]benzoate
CID 156734561
[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-octylbenzoate
CID 118216311
CID 159386596
CID 159386596
[4-[4-(6-prop-2-enoyloxyhexoxy)cyclohexanecarbonyl]oxyphenyl] 4-methoxybenzoate
CID 153066208
1-O-nonyl 4-O-[8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxyphenoxy]carbonylphenoxy]octyl] butanedioate
CID 162775598
(4-dodecoxyphenyl) 4-pentylcyclohexane-1-carboxylate
CID 58240512
[4-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxyphenyl] 4-(8-hydroxyoctoxy)benzoate
CID 162775643

Frequently Asked Questions

What is the IUPAC name of bis(bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);ethane;[4-(4-hexoxycyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(1-O-(4-hexylphenyl) 4-O-[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);bis([4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate);[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxyphenyl] 4-hexoxybenzoate?
The IUPAC name of bis(bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);ethane;[4-(4-hexoxycyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(1-O-(4-hexylphenyl) 4-O-[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);bis([4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate);[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxyphenyl] 4-hexoxybenzoate (CID 161042162) is bis(bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);ethane;[4-(4-hexoxycyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(1-O-(4-hexylphenyl) 4-O-[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);bis([4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate);[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxyphenyl] 4-hexoxybenzoate.
What is the SMILES notation for bis(bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);ethane;[4-(4-hexoxycyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(1-O-(4-hexylphenyl) 4-O-[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);bis([4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate);[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxyphenyl] 4-hexoxybenzoate?
The canonical SMILES for bis(bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);ethane;[4-(4-hexoxycyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(1-O-(4-hexylphenyl) 4-O-[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);bis([4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate);[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxyphenyl] 4-hexoxybenzoate is C=CC(=O)OCOC1CCC(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCC)cc3)cc2)CC1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)C3CCC(CCCCC)CC3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)C3CCC(CCCCC)CC3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)C3CCC(OCCCCCC)CC3)cc2)cc1.C=CC(=O)OCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(CCCCCC)cc3)CC2)cc1.C=CC(=O)OCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(CCCCCC)cc3)CC2)cc1.C=CC(=O)OCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(COC(=O)C=C)cc3)CC2)cc1.C=CC(=O)OCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(COC(=O)C=C)cc3)CC2)cc1.CC.CC.
What is the InChIKey of bis(bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);ethane;[4-(4-hexoxycyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(1-O-(4-hexylphenyl) 4-O-[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);bis([4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate);[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxyphenyl] 4-hexoxybenzoate?
The InChIKey is UBAFWXFSUOHHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H36O8.2C30H36O6.2C29H34O7.2C28H28O8.2C2H6/c2*1-3-5-6-7-20-34-24-12-8-22(9-13-24)29(32)37-26-16-18-27(19-17-26)38-30(33)23-10-14-25(15-11-23)35-21-36-28(31)4-2;2*1-3-5-6-7-8-22-9-17-26(18-10-22)35-29(32)24-13-15-25(16-14-24)30(33)36-27-19-11-23(12-20-27)21-34-28(31)4-2;2*1-3-5-6-7-21-8-10-22(11-9-21)28(31)35-25-16-18-26(19-17-25)36-29(32)23-12-14-24(15-13-23)33-20-34-27(30)4-2;2*1-3-25(29)33-17-19-5-13-23(14-6-19)35-27(31)21-9-11-22(12-10-21)28(32)36-24-15-7-20(8-16-24)18-34-26(30)4-2;2*1-2/h4,10-11,14-19,22,24H,2-3,5-9,12-13,20-21H2,1H3;4,8-9,12-13,16-19,23,25H,2-3,5-7,10-11,14-15,20-21H2,1H3;2*4,9-12,17-20,24-25H,2-3,5-8,13-16,21H2,1H3;2*4,12-19,21-22H,2-3,5-11,20H2,1H3;2*3-8,13-16,21-22H,1-2,9-12,17-18H2;2*1-2H3.
What are the key properties of bis(bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);ethane;[4-(4-hexoxycyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(1-O-(4-hexylphenyl) 4-O-[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);bis([4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate);[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxyphenyl] 4-hexoxybenzoate?
bis(bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);ethane;[4-(4-hexoxycyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(1-O-(4-hexylphenyl) 4-O-[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);bis([4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate);[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxyphenyl] 4-hexoxybenzoate has a molecular weight of 4068.80 g/mol, XLogP of 48.28, 96 rotatable bonds, 0 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);ethane;[4-(4-hexoxycyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(1-O-(4-hexylphenyl) 4-O-[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);bis([4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate);[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxyphenyl] 4-hexoxybenzoate is sourced from PubChem (CID 161042162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).