bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) [3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonate;(2,5-dioxo-3-tetradecan-2-ylpyrrolidin-1-yl) (3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonate;bis((3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonochloridate);(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;[3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonochloridate

C95H112Cl4N10O46S2 — CID 161196214

IUPACbis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) [3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonate;(2,5-dioxo-3-tetradecan-2-ylpyrrolidin-1-yl) (3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonate;bis((3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonochloridate);(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;[3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonochloridate
SMILESCC1C(=O)N(OC(=O)Cl)C(=O)C1SOOO.CC1C(=O)N(OC(=O)ON2C(=O)C(C)C(SOOO)C2=O)C(=O)C1C.CCC1CC(=O)N(OC(=O)Cl)C1=O.CCC1CC(=O)N(OC(=O)Cl)C1=O.CCCCCCCCCCCCC(C)C1CC(=O)N(OC(=O)ON2C(=O)CC(CC)C2=O)C1=O.COc1c(C)c(C)c2c(c1C)C(=O)N(OC(=O)Cl)C2=O.COc1c(C)c(C)c2c(c1C)C(=O)N(OC(=O)ON1C(=O)c3c(C)c(C)c(OC)c(C)c3C1=O)C2=O
InChIInChI=1S/C25H24N2O9.C25H40N2O7.C13H12ClNO5.C12H14N2O10S.2C7H8ClNO4.C6H6ClNO7S/c1-9-11(3)19(33-7)13(5)17-15(9)21(28)26(23(17)30)35-25(32)36-27-22(29)16-10(2)12(4)20(34-8)14(6)18(16)24(27)31;1-4-6-7-8-9-10-11-12-13-14-15-18(3)20-17-22(29)27(24(20)31)34-25(32)33-26-21(28)16-19(5-2)23(26)30;1-5-6(2)10(19-4)7(3)9-8(5)11(16)15(12(9)17)20-13(14)18;1-4-5(2)9(16)13(8(4)15)21-12(19)22-14-10(17)6(3)7(11(14)18)25-24-23-20;2*1-2-4-3-5(10)9(6(4)11)13-7(8)12;1-2-3(16-15-14-12)5(10)8(4(2)9)13-6(7)11/h1-8H3;18-20H,4-17H2,1-3H3;1-4H3;4-7,20H,1-3H3;2*4H,2-3H2,1H3;2-3,12H,1H3
InChIKeyUUJIZYXLMONNMT-UHFFFAOYSA-N
MW2335.91 g/mol
LogP13.91
Rot. Bonds34

About bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) [3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonate;(2,5-dioxo-3-tetradecan-2-ylpyrrolidin-1-yl) (3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonate;bis((3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonochloridate);(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;[3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonochloridate

bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) [3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonate;(2,5-dioxo-3-tetradecan-2-ylpyrrolidin-1-yl) (3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonate;bis((3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonochloridate);(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;[3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonochloridate (PubChem CID 161196214) has the molecular formula C95H112Cl4N10O46S2 and a molecular weight of 2335.91 g/mol. Its IUPAC name is bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) [3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonate;(2,5-dioxo-3-tetradecan-2-ylpyrrolidin-1-yl) (3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonate;bis((3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonochloridate);(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;[3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonochloridate.

Molecular Properties

Compound Namebis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) [3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonate;(2,5-dioxo-3-tetradecan-2-ylpyrrolidin-1-yl) (3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonate;bis((3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonochloridate);(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;[3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonochloridate
PubChem CID161196214
Molecular FormulaC95H112Cl4N10O46S2
Molecular Weight2335.91 g/mol
Exact Mass2332.49
IUPAC Namebis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) [3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonate;(2,5-dioxo-3-tetradecan-2-ylpyrrolidin-1-yl) (3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonate;bis((3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonochloridate);(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;[3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonochloridate
SMILESCC1C(=O)N(OC(=O)Cl)C(=O)C1SOOO.CC1C(=O)N(OC(=O)ON2C(=O)C(C)C(SOOO)C2=O)C(=O)C1C.CCC1CC(=O)N(OC(=O)Cl)C1=O.CCC1CC(=O)N(OC(=O)Cl)C1=O.CCCCCCCCCCCCC(C)C1CC(=O)N(OC(=O)ON2C(=O)CC(CC)C2=O)C1=O.COc1c(C)c(C)c2c(c1C)C(=O)N(OC(=O)Cl)C2=O.COc1c(C)c(C)c2c(c1C)C(=O)N(OC(=O)ON1C(=O)c3c(C)c(C)c(OC)c(C)c3C1=O)C2=O
InChIInChI=1S/C25H24N2O9.C25H40N2O7.C13H12ClNO5.C12H14N2O10S.2C7H8ClNO4.C6H6ClNO7S/c1-9-11(3)19(33-7)13(5)17-15(9)21(28)26(23(17)30)35-25(32)36-27-22(29)16-10(2)12(4)20(34-8)14(6)18(16)24(27)31;1-4-6-7-8-9-10-11-12-13-14-15-18(3)20-17-22(29)27(24(20)31)34-25(32)33-26-21(28)16-19(5-2)23(26)30;1-5-6(2)10(19-4)7(3)9-8(5)11(16)15(12(9)17)20-13(14)18;1-4-5(2)9(16)13(8(4)15)21-12(19)22-14-10(17)6(3)7(11(14)18)25-24-23-20;2*1-2-4-3-5(10)9(6(4)11)13-7(8)12;1-2-3(16-15-14-12)5(10)8(4(2)9)13-6(7)11/h1-8H3;18-20H,4-17H2,1-3H3;1-4H3;4-7,20H,1-3H3;2*4H,2-3H2,1H3;2-3,12H,1H3
InChIKeyUUJIZYXLMONNMT-UHFFFAOYSA-N
XLogP13.91
TPSA690.66 Ų
H-Bond Donors2
H-Bond Acceptors48
Rotatable Bonds34
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002335.91
LogP ≤ 513.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) [3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonate;(2,5-dioxo-3-tetradecan-2-ylpyrrolidin-1-yl) (3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonate;bis((3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonochloridate);(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;[3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonochloridate 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

Bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate
CID 141998569
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

Frequently Asked Questions

What is the IUPAC name of bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) [3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonate;(2,5-dioxo-3-tetradecan-2-ylpyrrolidin-1-yl) (3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonate;bis((3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonochloridate);(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;[3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonochloridate?
The IUPAC name of bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) [3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonate;(2,5-dioxo-3-tetradecan-2-ylpyrrolidin-1-yl) (3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonate;bis((3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonochloridate);(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;[3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonochloridate (CID 161196214) is bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) [3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonate;(2,5-dioxo-3-tetradecan-2-ylpyrrolidin-1-yl) (3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonate;bis((3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonochloridate);(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;[3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonochloridate.
What is the SMILES notation for bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) [3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonate;(2,5-dioxo-3-tetradecan-2-ylpyrrolidin-1-yl) (3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonate;bis((3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonochloridate);(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;[3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonochloridate?
The canonical SMILES for bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) [3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonate;(2,5-dioxo-3-tetradecan-2-ylpyrrolidin-1-yl) (3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonate;bis((3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonochloridate);(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;[3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonochloridate is CC1C(=O)N(OC(=O)Cl)C(=O)C1SOOO.CC1C(=O)N(OC(=O)ON2C(=O)C(C)C(SOOO)C2=O)C(=O)C1C.CCC1CC(=O)N(OC(=O)Cl)C1=O.CCC1CC(=O)N(OC(=O)Cl)C1=O.CCCCCCCCCCCCC(C)C1CC(=O)N(OC(=O)ON2C(=O)CC(CC)C2=O)C1=O.COc1c(C)c(C)c2c(c1C)C(=O)N(OC(=O)Cl)C2=O.COc1c(C)c(C)c2c(c1C)C(=O)N(OC(=O)ON1C(=O)c3c(C)c(C)c(OC)c(C)c3C1=O)C2=O.
What is the InChIKey of bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) [3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonate;(2,5-dioxo-3-tetradecan-2-ylpyrrolidin-1-yl) (3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonate;bis((3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonochloridate);(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;[3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonochloridate?
The InChIKey is UUJIZYXLMONNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O9.C25H40N2O7.C13H12ClNO5.C12H14N2O10S.2C7H8ClNO4.C6H6ClNO7S/c1-9-11(3)19(33-7)13(5)17-15(9)21(28)26(23(17)30)35-25(32)36-27-22(29)16-10(2)12(4)20(34-8)14(6)18(16)24(27)31;1-4-6-7-8-9-10-11-12-13-14-15-18(3)20-17-22(29)27(24(20)31)34-25(32)33-26-21(28)16-19(5-2)23(26)30;1-5-6(2)10(19-4)7(3)9-8(5)11(16)15(12(9)17)20-13(14)18;1-4-5(2)9(16)13(8(4)15)21-12(19)22-14-10(17)6(3)7(11(14)18)25-24-23-20;2*1-2-4-3-5(10)9(6(4)11)13-7(8)12;1-2-3(16-15-14-12)5(10)8(4(2)9)13-6(7)11/h1-8H3;18-20H,4-17H2,1-3H3;1-4H3;4-7,20H,1-3H3;2*4H,2-3H2,1H3;2-3,12H,1H3.
What are the key properties of bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) [3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonate;(2,5-dioxo-3-tetradecan-2-ylpyrrolidin-1-yl) (3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonate;bis((3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonochloridate);(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;[3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonochloridate?
bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) [3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonate;(2,5-dioxo-3-tetradecan-2-ylpyrrolidin-1-yl) (3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonate;bis((3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonochloridate);(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;[3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonochloridate has a molecular weight of 2335.91 g/mol, XLogP of 13.91, 34 rotatable bonds, 2 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonate;(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) [3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonate;(2,5-dioxo-3-tetradecan-2-ylpyrrolidin-1-yl) (3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonate;bis((3-ethyl-2,5-dioxopyrrolidin-1-yl) carbonochloridate);(5-methoxy-4,6,7-trimethyl-1,3-dioxoisoindol-2-yl) carbonochloridate;[3-methyl-2,5-dioxo-4-(trioxidanylsulfanyl)pyrrolidin-1-yl] carbonochloridate is sourced from PubChem (CID 161196214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).