[6-[4-[7-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]heptoxy]benzoyl]oxynaphthalen-2-yl] 4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoate;bis([4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methylbenzoate);[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]cyclohexyl]phenyl] 4-methylbenzoate

C175H218O39 — CID 158666146

IUPAC[6-[4-[7-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]heptoxy]benzoyl]oxynaphthalen-2-yl] 4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoate;bis([4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methylbenzoate);[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]cyclohexyl]phenyl] 4-methylbenzoate
SMILESC=C(C)C(=O)OCCCCCC(=O)OCCCCCCCCOC1CCC(c2ccc(OC(=O)c3ccc(C)cc3)cc2)CC1.C=C(C)C(=O)OCCCCCC(=O)OCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1.C=C(C)C(=O)OCCCCCC(=O)OCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1.C=C(C)C(=O)OCCCCCC(=O)OCCCCCCCCOc1ccc(C(=O)Oc2ccc3cc(OC(=O)c4ccc(OCCCCCCCOC(=O)CCCCCOC(=O)C(=C)C)cc4)ccc3c2)cc1
InChIInChI=1S/C59H74O14.2C39H46O9.C38H52O7/c1-44(2)56(62)70-40-20-12-14-22-54(60)68-38-18-9-6-5-8-16-36-66-50-30-24-46(25-31-50)58(64)72-52-34-28-49-43-53(35-29-48(49)42-52)73-59(65)47-26-32-51(33-27-47)67-37-17-10-7-11-19-39-69-55(61)23-15-13-21-41-71-57(63)45(3)4;2*1-29(2)37(41)46-28-12-8-9-13-36(40)45-27-11-7-5-4-6-10-26-44-33-20-18-32(19-21-33)39(43)48-35-24-22-34(23-25-35)47-38(42)31-16-14-30(3)15-17-31;1-29(2)37(40)44-28-12-8-9-13-36(39)43-27-11-7-5-4-6-10-26-42-34-22-18-31(19-23-34)32-20-24-35(25-21-32)45-38(41)33-16-14-30(3)15-17-33/h24-35,42-43H,1,3,5-23,36-41H2,2,4H3;2*14-25H,1,4-13,26-28H2,2-3H3;14-17,20-21,24-25,31,34H,1,4-13,18-19,22-23,26-28H2,2-3H3
InChIKeyIDJLZQCSVDEUDI-UHFFFAOYSA-N
MW2945.63 g/mol
LogP38.34
Rot. Bonds99

About [6-[4-[7-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]heptoxy]benzoyl]oxynaphthalen-2-yl] 4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoate;bis([4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methylbenzoate);[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]cyclohexyl]phenyl] 4-methylbenzoate

[6-[4-[7-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]heptoxy]benzoyl]oxynaphthalen-2-yl] 4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoate;bis([4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methylbenzoate);[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]cyclohexyl]phenyl] 4-methylbenzoate (PubChem CID 158666146) has the molecular formula C175H218O39 and a molecular weight of 2945.63 g/mol. Its IUPAC name is [6-[4-[7-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]heptoxy]benzoyl]oxynaphthalen-2-yl] 4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoate;bis([4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methylbenzoate);[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]cyclohexyl]phenyl] 4-methylbenzoate.

Molecular Properties

Compound Name[6-[4-[7-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]heptoxy]benzoyl]oxynaphthalen-2-yl] 4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoate;bis([4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methylbenzoate);[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]cyclohexyl]phenyl] 4-methylbenzoate
PubChem CID158666146
Molecular FormulaC175H218O39
Molecular Weight2945.63 g/mol
Exact Mass2943.51
IUPAC Name[6-[4-[7-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]heptoxy]benzoyl]oxynaphthalen-2-yl] 4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoate;bis([4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methylbenzoate);[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]cyclohexyl]phenyl] 4-methylbenzoate
SMILESC=C(C)C(=O)OCCCCCC(=O)OCCCCCCCCOC1CCC(c2ccc(OC(=O)c3ccc(C)cc3)cc2)CC1.C=C(C)C(=O)OCCCCCC(=O)OCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1.C=C(C)C(=O)OCCCCCC(=O)OCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1.C=C(C)C(=O)OCCCCCC(=O)OCCCCCCCCOc1ccc(C(=O)Oc2ccc3cc(OC(=O)c4ccc(OCCCCCCCOC(=O)CCCCCOC(=O)C(=C)C)cc4)ccc3c2)cc1
InChIInChI=1S/C59H74O14.2C39H46O9.C38H52O7/c1-44(2)56(62)70-40-20-12-14-22-54(60)68-38-18-9-6-5-8-16-36-66-50-30-24-46(25-31-50)58(64)72-52-34-28-49-43-53(35-29-48(49)42-52)73-59(65)47-26-32-51(33-27-47)67-37-17-10-7-11-19-39-69-55(61)23-15-13-21-41-71-57(63)45(3)4;2*1-29(2)37(41)46-28-12-8-9-13-36(40)45-27-11-7-5-4-6-10-26-44-33-20-18-32(19-21-33)39(43)48-35-24-22-34(23-25-35)47-38(42)31-16-14-30(3)15-17-31;1-29(2)37(40)44-28-12-8-9-13-36(39)43-27-11-7-5-4-6-10-26-42-34-22-18-31(19-23-34)32-20-24-35(25-21-32)45-38(41)33-16-14-30(3)15-17-33/h24-35,42-43H,1,3,5-23,36-41H2,2,4H3;2*14-25H,1,4-13,26-28H2,2-3H3;14-17,20-21,24-25,31,34H,1,4-13,18-19,22-23,26-28H2,2-3H3
InChIKeyIDJLZQCSVDEUDI-UHFFFAOYSA-N
XLogP38.34
TPSA493.25 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds99
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002945.63
LogP ≤ 538.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

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 [6-[4-[7-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]heptoxy]benzoyl]oxynaphthalen-2-yl] 4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoate;bis([4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methylbenzoate);[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]cyclohexyl]phenyl] 4-methylbenzoate with MolForge

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Related Compounds

(6-acetyloxynaphthalen-2-yl) 4-[7-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]heptoxy]benzoate;8-(4-methylphenoxy)octyl 6-(2-methylprop-2-enoyloxy)hexanoate;[4-[4-[6-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]hexoxy]cyclohexyl]phenyl] 4-methylbenzoate;[4-[4-[6-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]hexoxy]cyclohexyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;bis([4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methylbenzoate)
CID 160994589
[4-(4-ethoxycyclohexyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;hexyl 6-pentanoyloxyhexanoate;bis((4-methylphenyl) 4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoate);[4-[4-[6-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]hexoxy]cyclohexyl]phenyl] 4-methylbenzoate;[4-[4-[6-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]hexoxy]cyclohexyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methylbenzoate;octyl 6-(2-methylprop-2-enoyloxy)hexanoate;[4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]phenyl] 4-ethoxybenzoate
CID 167666075
(4-acetyloxyphenyl) 4-hexoxybenzoate;6-(4-methylcyclohexyl)oxyhexyl 6-(2-methylprop-2-enoyloxy)hexanoate
CID 157457014
[4-[4-[6-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]hexoxy]cyclohexanecarbonyl]oxyphenyl] 4-hexoxybenzoate
CID 58019592
[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-hexoxybenzoate
CID 58019596
8-(4-methylphenoxy)octyl 6-(2-methylprop-2-enoyloxy)hexanoate
CID 58019571
[4-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]phenyl] 4-butoxybenzoate
CID 101260763
6-[4-(4-pentylcyclohexyl)phenoxy]hexyl 6-(2-methylprop-2-enoyloxy)hexanoate
CID 58019591
phenyl 6-[12-(2-methylprop-2-enoyloxy)dodecoxy]naphthalene-2-carboxylate
CID 100974126
6-butanoyloxyhexyl 4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxyphenyl]benzoate
CID 58019659
(4-butoxyphenyl) 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate
CID 122403245
[4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxyphenoxy]phenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate
CID 142733207

Frequently Asked Questions

What is the IUPAC name of [6-[4-[7-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]heptoxy]benzoyl]oxynaphthalen-2-yl] 4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoate;bis([4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methylbenzoate);[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]cyclohexyl]phenyl] 4-methylbenzoate?
The IUPAC name of [6-[4-[7-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]heptoxy]benzoyl]oxynaphthalen-2-yl] 4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoate;bis([4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methylbenzoate);[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]cyclohexyl]phenyl] 4-methylbenzoate (CID 158666146) is [6-[4-[7-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]heptoxy]benzoyl]oxynaphthalen-2-yl] 4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoate;bis([4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methylbenzoate);[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]cyclohexyl]phenyl] 4-methylbenzoate.
What is the SMILES notation for [6-[4-[7-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]heptoxy]benzoyl]oxynaphthalen-2-yl] 4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoate;bis([4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methylbenzoate);[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]cyclohexyl]phenyl] 4-methylbenzoate?
The canonical SMILES for [6-[4-[7-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]heptoxy]benzoyl]oxynaphthalen-2-yl] 4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoate;bis([4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methylbenzoate);[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]cyclohexyl]phenyl] 4-methylbenzoate is C=C(C)C(=O)OCCCCCC(=O)OCCCCCCCCOC1CCC(c2ccc(OC(=O)c3ccc(C)cc3)cc2)CC1.C=C(C)C(=O)OCCCCCC(=O)OCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1.C=C(C)C(=O)OCCCCCC(=O)OCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1.C=C(C)C(=O)OCCCCCC(=O)OCCCCCCCCOc1ccc(C(=O)Oc2ccc3cc(OC(=O)c4ccc(OCCCCCCCOC(=O)CCCCCOC(=O)C(=C)C)cc4)ccc3c2)cc1.
What is the InChIKey of [6-[4-[7-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]heptoxy]benzoyl]oxynaphthalen-2-yl] 4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoate;bis([4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methylbenzoate);[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]cyclohexyl]phenyl] 4-methylbenzoate?
The InChIKey is IDJLZQCSVDEUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H74O14.2C39H46O9.C38H52O7/c1-44(2)56(62)70-40-20-12-14-22-54(60)68-38-18-9-6-5-8-16-36-66-50-30-24-46(25-31-50)58(64)72-52-34-28-49-43-53(35-29-48(49)42-52)73-59(65)47-26-32-51(33-27-47)67-37-17-10-7-11-19-39-69-55(61)23-15-13-21-41-71-57(63)45(3)4;2*1-29(2)37(41)46-28-12-8-9-13-36(40)45-27-11-7-5-4-6-10-26-44-33-20-18-32(19-21-33)39(43)48-35-24-22-34(23-25-35)47-38(42)31-16-14-30(3)15-17-31;1-29(2)37(40)44-28-12-8-9-13-36(39)43-27-11-7-5-4-6-10-26-42-34-22-18-31(19-23-34)32-20-24-35(25-21-32)45-38(41)33-16-14-30(3)15-17-33/h24-35,42-43H,1,3,5-23,36-41H2,2,4H3;2*14-25H,1,4-13,26-28H2,2-3H3;14-17,20-21,24-25,31,34H,1,4-13,18-19,22-23,26-28H2,2-3H3.
What are the key properties of [6-[4-[7-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]heptoxy]benzoyl]oxynaphthalen-2-yl] 4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoate;bis([4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methylbenzoate);[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]cyclohexyl]phenyl] 4-methylbenzoate?
[6-[4-[7-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]heptoxy]benzoyl]oxynaphthalen-2-yl] 4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoate;bis([4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methylbenzoate);[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]cyclohexyl]phenyl] 4-methylbenzoate has a molecular weight of 2945.63 g/mol, XLogP of 38.34, 99 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-[7-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]heptoxy]benzoyl]oxynaphthalen-2-yl] 4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoate;bis([4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-methylbenzoate);[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]cyclohexyl]phenyl] 4-methylbenzoate is sourced from PubChem (CID 158666146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).