[7-(4-acetylcyclohexanecarbonyl)oxy-2-(9H-fluoren-2-yl)-1,3-dioxoisoindol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)butyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate

C132H163NO36 — CID 157407772

IUPAC[7-(4-acetylcyclohexanecarbonyl)oxy-2-(9H-fluoren-2-yl)-1,3-dioxoisoindol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)butyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate
SMILESC=CC(=O)OCCCCCCOC(=O)c1ccc(OC)cc1.C=CC(=O)OCCCCCCOC1CCC(OC)CC1.C=CC(=O)OCCCCCCOc1ccc(OC)cc1.C=CC(=O)OCCCCOC(=O)Oc1ccc(OC)cc1.C=CC(=O)OCCCCOC(=O)c1ccc(OC)cc1.C=CC(=O)OCCCCOc1ccc(OC)cc1.CC(=O)C1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(C(C)=O)CC3)c3c2C(=O)N(c2ccc4c(c2)Cc2ccccc2-4)C3=O)CC1
InChIInChI=1S/C39H37NO8.C17H22O5.C16H28O4.C16H22O4.C15H18O6.C15H18O5.C14H18O4/c1-21(41)23-7-11-25(12-8-23)38(45)47-32-17-18-33(48-39(46)26-13-9-24(10-14-26)22(2)42)35-34(32)36(43)40(37(35)44)29-15-16-31-28(20-29)19-27-5-3-4-6-30(27)31;1-3-16(18)21-12-6-4-5-7-13-22-17(19)14-8-10-15(20-2)11-9-14;2*1-3-16(17)20-13-7-5-4-6-12-19-15-10-8-14(18-2)9-11-15;1-3-14(16)19-10-4-5-11-20-15(17)21-13-8-6-12(18-2)7-9-13;1-3-14(16)19-10-4-5-11-20-15(17)12-6-8-13(18-2)9-7-12;1-3-14(15)18-11-5-4-10-17-13-8-6-12(16-2)7-9-13/h3-6,15-18,20,23-26H,7-14,19H2,1-2H3;3,8-11H,1,4-7,12-13H2,2H3;3,14-15H,1,4-13H2,2H3;3,8-11H,1,4-7,12-13H2,2H3;3,6-9H,1,4-5,10-11H2,2H3;3,6-9H,1,4-5,10-11H2,2H3;3,6-9H,1,4-5,10-11H2,2H3
InChIKeyBNXRKOLNNUFVKC-UHFFFAOYSA-N
MW2339.73 g/mol
LogP24.08
Rot. Bonds61

About [7-(4-acetylcyclohexanecarbonyl)oxy-2-(9H-fluoren-2-yl)-1,3-dioxoisoindol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)butyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate

[7-(4-acetylcyclohexanecarbonyl)oxy-2-(9H-fluoren-2-yl)-1,3-dioxoisoindol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)butyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate (PubChem CID 157407772) has the molecular formula C132H163NO36 and a molecular weight of 2339.73 g/mol. Its IUPAC name is [7-(4-acetylcyclohexanecarbonyl)oxy-2-(9H-fluoren-2-yl)-1,3-dioxoisoindol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)butyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate.

Molecular Properties

Compound Name[7-(4-acetylcyclohexanecarbonyl)oxy-2-(9H-fluoren-2-yl)-1,3-dioxoisoindol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)butyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate
PubChem CID157407772
Molecular FormulaC132H163NO36
Molecular Weight2339.73 g/mol
Exact Mass2338.10
IUPAC Name[7-(4-acetylcyclohexanecarbonyl)oxy-2-(9H-fluoren-2-yl)-1,3-dioxoisoindol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)butyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate
SMILESC=CC(=O)OCCCCCCOC(=O)c1ccc(OC)cc1.C=CC(=O)OCCCCCCOC1CCC(OC)CC1.C=CC(=O)OCCCCCCOc1ccc(OC)cc1.C=CC(=O)OCCCCOC(=O)Oc1ccc(OC)cc1.C=CC(=O)OCCCCOC(=O)c1ccc(OC)cc1.C=CC(=O)OCCCCOc1ccc(OC)cc1.CC(=O)C1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(C(C)=O)CC3)c3c2C(=O)N(c2ccc4c(c2)Cc2ccccc2-4)C3=O)CC1
InChIInChI=1S/C39H37NO8.C17H22O5.C16H28O4.C16H22O4.C15H18O6.C15H18O5.C14H18O4/c1-21(41)23-7-11-25(12-8-23)38(45)47-32-17-18-33(48-39(46)26-13-9-24(10-14-26)22(2)42)35-34(32)36(43)40(37(35)44)29-15-16-31-28(20-29)19-27-5-3-4-6-30(27)31;1-3-16(18)21-12-6-4-5-7-13-22-17(19)14-8-10-15(20-2)11-9-14;2*1-3-16(17)20-13-7-5-4-6-12-19-15-10-8-14(18-2)9-11-15;1-3-14(16)19-10-4-5-11-20-15(17)21-13-8-6-12(18-2)7-9-13;1-3-14(16)19-10-4-5-11-20-15(17)12-6-8-13(18-2)9-7-12;1-3-14(15)18-11-5-4-10-17-13-8-6-12(16-2)7-9-13/h3-6,15-18,20,23-26H,7-14,19H2,1-2H3;3,8-11H,1,4-7,12-13H2,2H3;3,14-15H,1,4-13H2,2H3;3,8-11H,1,4-7,12-13H2,2H3;3,6-9H,1,4-5,10-11H2,2H3;3,6-9H,1,4-5,10-11H2,2H3;3,6-9H,1,4-5,10-11H2,2H3
InChIKeyBNXRKOLNNUFVKC-UHFFFAOYSA-N
XLogP24.08
TPSA453.12 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds61
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002339.73
LogP ≤ 524.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

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'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze [7-(4-acetylcyclohexanecarbonyl)oxy-2-(9H-fluoren-2-yl)-1,3-dioxoisoindol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)butyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate with MolForge

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Related Compounds

[7-(4-acetylcyclohexanecarbonyl)oxy-2-[4-(3,5-dimethylphenyl)phenyl]-1,3-benzothiazol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)butyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate
CID 158215339
[7-(4-acetylcyclohexanecarbonyl)oxy-2-(5-propan-2-ylthieno[3,2-b]thiophen-2-yl)-1,3-benzothiazol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)butyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate;prop-2-enoyloxymethyl 4-methoxybenzoate
CID 158164291
[4-[4-(6-prop-2-enoyloxyhexoxy)cyclohexanecarbonyl]oxyphenyl] 4-methoxybenzoate
CID 153066208
[7-(4-acetylcyclohexanecarbonyl)oxy-2-(4-phenylphenyl)-1,3-benzothiazol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)hexyl prop-2-enoate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;4-prop-2-enoyloxybutyl 4-methoxycyclohexane-1-carboxylate
CID 158206988
[7-(4-acetylcyclohexanecarbonyl)oxy-2-(6-nitro-1,3-benzothiazol-2-yl)-1,3-dioxoisoindol-4-yl] 4-acetylcyclohexane-1-carboxylate;4-(4-methoxyphenoxy)butyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate
CID 160961220
[4-(4-acetylcyclohexanecarbonyl)oxy-2,5-bis[(2,2-diphenylhydrazinyl)methyl]phenyl] 4-acetylcyclohexane-1-carboxylate;4-(4-methoxyphenoxy)butyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate
CID 161079882
bis[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[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;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate
CID 158233395
[4-[4-(6-prop-2-enoxyhexoxy)phenoxy]carbonylcyclohexyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 145403600
4-O-[3-methoxy-4-[4-[4-(3-prop-2-enoyloxypropoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(3-prop-2-enoyloxypropoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 142301433
[(6R)-6-[4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxybenzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-methoxybenzoate
CID 58234142
[7-(4-acetylcyclohexanecarbonyl)oxy-2-[5-(5-octa-1,3,5,7-tetraynylthiophen-2-yl)thiophen-2-yl]-1,3-benzothiazol-4-yl] 4-acetylcyclohexane-1-carboxylate;4-(4-methoxyphenoxy)butyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;molecular hydrogen;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate
CID 159170006
bis[2-methoxycarbonyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] cyclopentane-1,3-dicarboxylate
CID 130217456

Frequently Asked Questions

What is the IUPAC name of [7-(4-acetylcyclohexanecarbonyl)oxy-2-(9H-fluoren-2-yl)-1,3-dioxoisoindol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)butyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate?
The IUPAC name of [7-(4-acetylcyclohexanecarbonyl)oxy-2-(9H-fluoren-2-yl)-1,3-dioxoisoindol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)butyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate (CID 157407772) is [7-(4-acetylcyclohexanecarbonyl)oxy-2-(9H-fluoren-2-yl)-1,3-dioxoisoindol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)butyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate.
What is the SMILES notation for [7-(4-acetylcyclohexanecarbonyl)oxy-2-(9H-fluoren-2-yl)-1,3-dioxoisoindol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)butyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate?
The canonical SMILES for [7-(4-acetylcyclohexanecarbonyl)oxy-2-(9H-fluoren-2-yl)-1,3-dioxoisoindol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)butyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate is C=CC(=O)OCCCCCCOC(=O)c1ccc(OC)cc1.C=CC(=O)OCCCCCCOC1CCC(OC)CC1.C=CC(=O)OCCCCCCOc1ccc(OC)cc1.C=CC(=O)OCCCCOC(=O)Oc1ccc(OC)cc1.C=CC(=O)OCCCCOC(=O)c1ccc(OC)cc1.C=CC(=O)OCCCCOc1ccc(OC)cc1.CC(=O)C1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(C(C)=O)CC3)c3c2C(=O)N(c2ccc4c(c2)Cc2ccccc2-4)C3=O)CC1.
What is the InChIKey of [7-(4-acetylcyclohexanecarbonyl)oxy-2-(9H-fluoren-2-yl)-1,3-dioxoisoindol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)butyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate?
The InChIKey is BNXRKOLNNUFVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37NO8.C17H22O5.C16H28O4.C16H22O4.C15H18O6.C15H18O5.C14H18O4/c1-21(41)23-7-11-25(12-8-23)38(45)47-32-17-18-33(48-39(46)26-13-9-24(10-14-26)22(2)42)35-34(32)36(43)40(37(35)44)29-15-16-31-28(20-29)19-27-5-3-4-6-30(27)31;1-3-16(18)21-12-6-4-5-7-13-22-17(19)14-8-10-15(20-2)11-9-14;2*1-3-16(17)20-13-7-5-4-6-12-19-15-10-8-14(18-2)9-11-15;1-3-14(16)19-10-4-5-11-20-15(17)21-13-8-6-12(18-2)7-9-13;1-3-14(16)19-10-4-5-11-20-15(17)12-6-8-13(18-2)9-7-12;1-3-14(15)18-11-5-4-10-17-13-8-6-12(16-2)7-9-13/h3-6,15-18,20,23-26H,7-14,19H2,1-2H3;3,8-11H,1,4-7,12-13H2,2H3;3,14-15H,1,4-13H2,2H3;3,8-11H,1,4-7,12-13H2,2H3;3,6-9H,1,4-5,10-11H2,2H3;3,6-9H,1,4-5,10-11H2,2H3;3,6-9H,1,4-5,10-11H2,2H3.
What are the key properties of [7-(4-acetylcyclohexanecarbonyl)oxy-2-(9H-fluoren-2-yl)-1,3-dioxoisoindol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)butyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate?
[7-(4-acetylcyclohexanecarbonyl)oxy-2-(9H-fluoren-2-yl)-1,3-dioxoisoindol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)butyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate has a molecular weight of 2339.73 g/mol, XLogP of 24.08, 61 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-acetylcyclohexanecarbonyl)oxy-2-(9H-fluoren-2-yl)-1,3-dioxoisoindol-4-yl] 4-acetylcyclohexane-1-carboxylate;6-(4-methoxycyclohexyl)oxyhexyl prop-2-enoate;4-(4-methoxyphenoxy)butyl prop-2-enoate;4-(4-methoxyphenoxy)carbonyloxybutyl prop-2-enoate;6-(4-methoxyphenoxy)hexyl prop-2-enoate;4-prop-2-enoyloxybutyl 4-methoxybenzoate;6-prop-2-enoyloxyhexyl 4-methoxybenzoate is sourced from PubChem (CID 157407772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).