bis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonate;(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;[1,3-dioxo-4-[2-(2-propoxyethoxy)ethoxy]isoindol-2-yl] carbonochloridate;(4-dodecoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl) (4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonate;(4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonochloridate

C110H132Cl3N7O38 — CID 158261071

IUPACbis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonate;(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;[1,3-dioxo-4-[2-(2-propoxyethoxy)ethoxy]isoindol-2-yl] carbonochloridate;(4-dodecoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl) (4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonate;(4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonochloridate
SMILESCCCCCCCCCCCCOc1cccc2c1C(=O)N(OC(=O)Cl)C2=O.CCCCCCCCCCCCOc1cccc2c1C(=O)N(OC(=O)ON1C(=O)C3CCCC(OCCCCCCCCCCCC)C3C1=O)C2=O.CCCOCCOCCOc1cccc2c1C(=O)N(OC(=O)Cl)C2=O.COc1cc2c(cc1OC)C(=O)N(OC(=O)Cl)C2=O.COc1cc2c(cc1OC)C(=O)N(OC(=O)ON1C(=O)c3cc(OC)c(OC)cc3C1=O)C2=O
InChIInChI=1S/C41H62N2O9.C21H28ClNO5.C21H16N2O11.C16H18ClNO7.C11H8ClNO6/c1-3-5-7-9-11-13-15-17-19-21-29-49-33-27-23-25-31-35(33)39(46)42(37(31)44)51-41(48)52-43-38(45)32-26-24-28-34(36(32)40(43)47)50-30-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-15-27-17-14-12-13-16-18(17)20(25)23(19(16)24)28-21(22)26;1-29-13-5-9-10(6-14(13)30-2)18(25)22(17(9)24)33-21(28)34-23-19(26)11-7-15(31-3)16(32-4)8-12(11)20(23)27;1-2-6-22-7-8-23-9-10-24-12-5-3-4-11-13(12)15(20)18(14(11)19)25-16(17)21;1-17-7-3-5-6(4-8(7)18-2)10(15)13(9(5)14)19-11(12)16/h23,25,27,32,34,36H,3-22,24,26,28-30H2,1-2H3;12-14H,2-11,15H2,1H3;5-8H,1-4H3;3-5H,2,6-10H2,1H3;3-4H,1-2H3
InChIKeyGHWMLNDYSIUINR-UHFFFAOYSA-N
MW2266.64 g/mol
LogP21.11
Rot. Bonds58

About bis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonate;(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;[1,3-dioxo-4-[2-(2-propoxyethoxy)ethoxy]isoindol-2-yl] carbonochloridate;(4-dodecoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl) (4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonate;(4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonochloridate

bis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonate;(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;[1,3-dioxo-4-[2-(2-propoxyethoxy)ethoxy]isoindol-2-yl] carbonochloridate;(4-dodecoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl) (4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonate;(4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonochloridate (PubChem CID 158261071) has the molecular formula C110H132Cl3N7O38 and a molecular weight of 2266.64 g/mol. Its IUPAC name is bis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonate;(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;[1,3-dioxo-4-[2-(2-propoxyethoxy)ethoxy]isoindol-2-yl] carbonochloridate;(4-dodecoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl) (4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonate;(4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonochloridate.

Molecular Properties

Compound Namebis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonate;(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;[1,3-dioxo-4-[2-(2-propoxyethoxy)ethoxy]isoindol-2-yl] carbonochloridate;(4-dodecoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl) (4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonate;(4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonochloridate
PubChem CID158261071
Molecular FormulaC110H132Cl3N7O38
Molecular Weight2266.64 g/mol
Exact Mass2263.77
IUPAC Namebis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonate;(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;[1,3-dioxo-4-[2-(2-propoxyethoxy)ethoxy]isoindol-2-yl] carbonochloridate;(4-dodecoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl) (4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonate;(4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonochloridate
SMILESCCCCCCCCCCCCOc1cccc2c1C(=O)N(OC(=O)Cl)C2=O.CCCCCCCCCCCCOc1cccc2c1C(=O)N(OC(=O)ON1C(=O)C3CCCC(OCCCCCCCCCCCC)C3C1=O)C2=O.CCCOCCOCCOc1cccc2c1C(=O)N(OC(=O)Cl)C2=O.COc1cc2c(cc1OC)C(=O)N(OC(=O)Cl)C2=O.COc1cc2c(cc1OC)C(=O)N(OC(=O)ON1C(=O)c3cc(OC)c(OC)cc3C1=O)C2=O
InChIInChI=1S/C41H62N2O9.C21H28ClNO5.C21H16N2O11.C16H18ClNO7.C11H8ClNO6/c1-3-5-7-9-11-13-15-17-19-21-29-49-33-27-23-25-31-35(33)39(46)42(37(31)44)51-41(48)52-43-38(45)32-26-24-28-34(36(32)40(43)47)50-30-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-15-27-17-14-12-13-16-18(17)20(25)23(19(16)24)28-21(22)26;1-29-13-5-9-10(6-14(13)30-2)18(25)22(17(9)24)33-21(28)34-23-19(26)11-7-15(31-3)16(32-4)8-12(11)20(23)27;1-2-6-22-7-8-23-9-10-24-12-5-3-4-11-13(12)15(20)18(14(11)19)25-16(17)21;1-17-7-3-5-6(4-8(7)18-2)10(15)13(9(5)14)19-11(12)16/h23,25,27,32,34,36H,3-22,24,26,28-30H2,1-2H3;12-14H,2-11,15H2,1H3;5-8H,1-4H3;3-5H,2,6-10H2,1H3;3-4H,1-2H3
InChIKeyGHWMLNDYSIUINR-UHFFFAOYSA-N
XLogP21.11
TPSA522.38 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds58
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002266.64
LogP ≤ 521.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze bis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonate;(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;[1,3-dioxo-4-[2-(2-propoxyethoxy)ethoxy]isoindol-2-yl] carbonochloridate;(4-dodecoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl) (4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonate;(4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonochloridate with MolForge

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Related Compounds

Bis(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonate;bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;bis(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonate;(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonochloridate;[1,3-dioxo-4-[2-(2-propoxyethoxy)ethoxy]isoindol-2-yl] carbonochloridate;(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonochloridate
CID 158456929
Bis(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonate;bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;bis(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonate;(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonochloridate;(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonochloridate
CID 158926606
Bis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonate;bis(4-methyl-1,3-dioxoisoindol-2-yl) carbonate;(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;(4-dodecoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl) (4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonate;(4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;(4-methyl-1,3-dioxoisoindol-2-yl) carbonochloridate
CID 160009198
Bis(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonate;bis(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonate;(5,6-difluoro-1,3-dioxoisoindol-2-yl) carbonochloridate;[1,3-dioxo-4-[2-(2-propoxyethoxy)ethoxy]isoindol-2-yl] carbonochloridate;(4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;(4-methyl-1,3-dioxo-7-propan-2-ylisoindol-2-yl) carbonochloridate
CID 161850046

Frequently Asked Questions

What is the IUPAC name of bis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonate;(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;[1,3-dioxo-4-[2-(2-propoxyethoxy)ethoxy]isoindol-2-yl] carbonochloridate;(4-dodecoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl) (4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonate;(4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonochloridate?
The IUPAC name of bis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonate;(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;[1,3-dioxo-4-[2-(2-propoxyethoxy)ethoxy]isoindol-2-yl] carbonochloridate;(4-dodecoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl) (4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonate;(4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonochloridate (CID 158261071) is bis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonate;(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;[1,3-dioxo-4-[2-(2-propoxyethoxy)ethoxy]isoindol-2-yl] carbonochloridate;(4-dodecoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl) (4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonate;(4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonochloridate.
What is the SMILES notation for bis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonate;(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;[1,3-dioxo-4-[2-(2-propoxyethoxy)ethoxy]isoindol-2-yl] carbonochloridate;(4-dodecoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl) (4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonate;(4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonochloridate?
The canonical SMILES for bis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonate;(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;[1,3-dioxo-4-[2-(2-propoxyethoxy)ethoxy]isoindol-2-yl] carbonochloridate;(4-dodecoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl) (4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonate;(4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonochloridate is CCCCCCCCCCCCOc1cccc2c1C(=O)N(OC(=O)Cl)C2=O.CCCCCCCCCCCCOc1cccc2c1C(=O)N(OC(=O)ON1C(=O)C3CCCC(OCCCCCCCCCCCC)C3C1=O)C2=O.CCCOCCOCCOc1cccc2c1C(=O)N(OC(=O)Cl)C2=O.COc1cc2c(cc1OC)C(=O)N(OC(=O)Cl)C2=O.COc1cc2c(cc1OC)C(=O)N(OC(=O)ON1C(=O)c3cc(OC)c(OC)cc3C1=O)C2=O.
What is the InChIKey of bis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonate;(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;[1,3-dioxo-4-[2-(2-propoxyethoxy)ethoxy]isoindol-2-yl] carbonochloridate;(4-dodecoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl) (4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonate;(4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonochloridate?
The InChIKey is GHWMLNDYSIUINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H62N2O9.C21H28ClNO5.C21H16N2O11.C16H18ClNO7.C11H8ClNO6/c1-3-5-7-9-11-13-15-17-19-21-29-49-33-27-23-25-31-35(33)39(46)42(37(31)44)51-41(48)52-43-38(45)32-26-24-28-34(36(32)40(43)47)50-30-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-15-27-17-14-12-13-16-18(17)20(25)23(19(16)24)28-21(22)26;1-29-13-5-9-10(6-14(13)30-2)18(25)22(17(9)24)33-21(28)34-23-19(26)11-7-15(31-3)16(32-4)8-12(11)20(23)27;1-2-6-22-7-8-23-9-10-24-12-5-3-4-11-13(12)15(20)18(14(11)19)25-16(17)21;1-17-7-3-5-6(4-8(7)18-2)10(15)13(9(5)14)19-11(12)16/h23,25,27,32,34,36H,3-22,24,26,28-30H2,1-2H3;12-14H,2-11,15H2,1H3;5-8H,1-4H3;3-5H,2,6-10H2,1H3;3-4H,1-2H3.
What are the key properties of bis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonate;(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;[1,3-dioxo-4-[2-(2-propoxyethoxy)ethoxy]isoindol-2-yl] carbonochloridate;(4-dodecoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl) (4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonate;(4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonochloridate?
bis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonate;(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;[1,3-dioxo-4-[2-(2-propoxyethoxy)ethoxy]isoindol-2-yl] carbonochloridate;(4-dodecoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl) (4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonate;(4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonochloridate has a molecular weight of 2266.64 g/mol, XLogP of 21.11, 58 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonate;(5,6-dimethoxy-1,3-dioxoisoindol-2-yl) carbonochloridate;[1,3-dioxo-4-[2-(2-propoxyethoxy)ethoxy]isoindol-2-yl] carbonochloridate;(4-dodecoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl) (4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonate;(4-dodecoxy-1,3-dioxoisoindol-2-yl) carbonochloridate is sourced from PubChem (CID 158261071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).