tert-butyl 3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoate;tert-butyl 3-(2-hydroxyethoxy)propanoate;tert-butyl 3-[2-(4-methylphenyl)sulfonyloxyethoxy]propanoate;3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;4-methylbenzenesulfonyl chloride

C85H103ClN6O33S2 — CID 159597345

IUPACtert-butyl 3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoate;tert-butyl 3-(2-hydroxyethoxy)propanoate;tert-butyl 3-[2-(4-methylphenyl)sulfonyloxyethoxy]propanoate;3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;4-methylbenzenesulfonyl chloride
SMILESCC(C)(C)OC(=O)CCOCCO.CC(C)(C)OC(=O)CCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)OCCOCCC(=O)OC(C)(C)C)cc1.O=C(O)CCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(O)c3C2=O)C(=O)N1
InChIInChI=1S/C22H26N2O8.C18H18N2O8.C16H24O6S.C13H10N2O5.C9H18O4.C7H7ClO2S/c1-22(2,3)32-17(26)9-10-30-11-12-31-15-6-4-5-13-18(15)21(29)24(20(13)28)14-7-8-16(25)23-19(14)27;21-13-5-4-11(16(24)19-13)20-17(25)10-2-1-3-12(15(10)18(20)26)28-9-8-27-7-6-14(22)23;1-13-5-7-14(8-6-13)23(18,19)21-12-11-20-10-9-15(17)22-16(2,3)4;16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18;1-9(2,3)13-8(11)4-6-12-7-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,14H,7-12H2,1-3H3,(H,23,25,27);1-3,11H,4-9H2,(H,22,23)(H,19,21,24);5-8H,9-12H2,1-4H3;1-3,7,16H,4-5H2,(H,14,17,18);10H,4-7H2,1-3H3;2-5H,1H3
InChIKeyMLAFWXMMWKNBNM-UHFFFAOYSA-N
MW1836.35 g/mol
LogP6.06
Rot. Bonds31

About tert-butyl 3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoate;tert-butyl 3-(2-hydroxyethoxy)propanoate;tert-butyl 3-[2-(4-methylphenyl)sulfonyloxyethoxy]propanoate;3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;4-methylbenzenesulfonyl chloride

tert-butyl 3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoate;tert-butyl 3-(2-hydroxyethoxy)propanoate;tert-butyl 3-[2-(4-methylphenyl)sulfonyloxyethoxy]propanoate;3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;4-methylbenzenesulfonyl chloride (PubChem CID 159597345) has the molecular formula C85H103ClN6O33S2 and a molecular weight of 1836.35 g/mol. Its IUPAC name is tert-butyl 3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoate;tert-butyl 3-(2-hydroxyethoxy)propanoate;tert-butyl 3-[2-(4-methylphenyl)sulfonyloxyethoxy]propanoate;3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;4-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Nametert-butyl 3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoate;tert-butyl 3-(2-hydroxyethoxy)propanoate;tert-butyl 3-[2-(4-methylphenyl)sulfonyloxyethoxy]propanoate;3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;4-methylbenzenesulfonyl chloride
PubChem CID159597345
Molecular FormulaC85H103ClN6O33S2
Molecular Weight1836.35 g/mol
Exact Mass1834.57
IUPAC Nametert-butyl 3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoate;tert-butyl 3-(2-hydroxyethoxy)propanoate;tert-butyl 3-[2-(4-methylphenyl)sulfonyloxyethoxy]propanoate;3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;4-methylbenzenesulfonyl chloride
SMILESCC(C)(C)OC(=O)CCOCCO.CC(C)(C)OC(=O)CCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)OCCOCCC(=O)OC(C)(C)C)cc1.O=C(O)CCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(O)c3C2=O)C(=O)N1
InChIInChI=1S/C22H26N2O8.C18H18N2O8.C16H24O6S.C13H10N2O5.C9H18O4.C7H7ClO2S/c1-22(2,3)32-17(26)9-10-30-11-12-31-15-6-4-5-13-18(15)21(29)24(20(13)28)14-7-8-16(25)23-19(14)27;21-13-5-4-11(16(24)19-13)20-17(25)10-2-1-3-12(15(10)18(20)26)28-9-8-27-7-6-14(22)23;1-13-5-7-14(8-6-13)23(18,19)21-12-11-20-10-9-15(17)22-16(2,3)4;16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18;1-9(2,3)13-8(11)4-6-12-7-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,14H,7-12H2,1-3H3,(H,23,25,27);1-3,11H,4-9H2,(H,22,23)(H,19,21,24);5-8H,9-12H2,1-4H3;1-3,7,16H,4-5H2,(H,14,17,18);10H,4-7H2,1-3H3;2-5H,1H3
InChIKeyMLAFWXMMWKNBNM-UHFFFAOYSA-N
XLogP6.06
TPSA540.20 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001836.35
LogP ≤ 56.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze tert-butyl 3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoate;tert-butyl 3-(2-hydroxyethoxy)propanoate;tert-butyl 3-[2-(4-methylphenyl)sulfonyloxyethoxy]propanoate;3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;4-methylbenzenesulfonyl chloride with MolForge

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Related Compounds

tert-butyl 3-[2-(2-bromoethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoate;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione
CID 165103372
tert-butyl 3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptoxy]propanoate
CID 166007620
tert-butyl 3-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexoxy]propanoate;3-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexoxy]propanoic acid;methane;2,2,2-trifluoroacetaldehyde
CID 167705202
tert-butyl 2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutoxy]acetate
CID 167164099
tert-butyl 2-[2-(4-methylphenyl)sulfonyloxyethoxy]acetate;2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylethoxy]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-sulfanylisoindole-1,3-dione;methane
CID 165041654
tert-butyl 3-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoylamino]propanoate;3-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoylamino]propanoic acid
CID 167677444
2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 153351898
2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 152541003
2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]acetic acid
CID 150803876
3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]propanoic acid
CID 153351501
5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoic acid;methane
CID 159948017
tert-butyl 3-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoylamino]propanoate
CID 166007652

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoate;tert-butyl 3-(2-hydroxyethoxy)propanoate;tert-butyl 3-[2-(4-methylphenyl)sulfonyloxyethoxy]propanoate;3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;4-methylbenzenesulfonyl chloride?
The IUPAC name of tert-butyl 3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoate;tert-butyl 3-(2-hydroxyethoxy)propanoate;tert-butyl 3-[2-(4-methylphenyl)sulfonyloxyethoxy]propanoate;3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;4-methylbenzenesulfonyl chloride (CID 159597345) is tert-butyl 3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoate;tert-butyl 3-(2-hydroxyethoxy)propanoate;tert-butyl 3-[2-(4-methylphenyl)sulfonyloxyethoxy]propanoate;3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;4-methylbenzenesulfonyl chloride.
What is the SMILES notation for tert-butyl 3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoate;tert-butyl 3-(2-hydroxyethoxy)propanoate;tert-butyl 3-[2-(4-methylphenyl)sulfonyloxyethoxy]propanoate;3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;4-methylbenzenesulfonyl chloride?
The canonical SMILES for tert-butyl 3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoate;tert-butyl 3-(2-hydroxyethoxy)propanoate;tert-butyl 3-[2-(4-methylphenyl)sulfonyloxyethoxy]propanoate;3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;4-methylbenzenesulfonyl chloride is CC(C)(C)OC(=O)CCOCCO.CC(C)(C)OC(=O)CCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)OCCOCCC(=O)OC(C)(C)C)cc1.O=C(O)CCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(O)c3C2=O)C(=O)N1.
What is the InChIKey of tert-butyl 3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoate;tert-butyl 3-(2-hydroxyethoxy)propanoate;tert-butyl 3-[2-(4-methylphenyl)sulfonyloxyethoxy]propanoate;3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;4-methylbenzenesulfonyl chloride?
The InChIKey is MLAFWXMMWKNBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O8.C18H18N2O8.C16H24O6S.C13H10N2O5.C9H18O4.C7H7ClO2S/c1-22(2,3)32-17(26)9-10-30-11-12-31-15-6-4-5-13-18(15)21(29)24(20(13)28)14-7-8-16(25)23-19(14)27;21-13-5-4-11(16(24)19-13)20-17(25)10-2-1-3-12(15(10)18(20)26)28-9-8-27-7-6-14(22)23;1-13-5-7-14(8-6-13)23(18,19)21-12-11-20-10-9-15(17)22-16(2,3)4;16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18;1-9(2,3)13-8(11)4-6-12-7-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,14H,7-12H2,1-3H3,(H,23,25,27);1-3,11H,4-9H2,(H,22,23)(H,19,21,24);5-8H,9-12H2,1-4H3;1-3,7,16H,4-5H2,(H,14,17,18);10H,4-7H2,1-3H3;2-5H,1H3.
What are the key properties of tert-butyl 3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoate;tert-butyl 3-(2-hydroxyethoxy)propanoate;tert-butyl 3-[2-(4-methylphenyl)sulfonyloxyethoxy]propanoate;3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;4-methylbenzenesulfonyl chloride?
tert-butyl 3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoate;tert-butyl 3-(2-hydroxyethoxy)propanoate;tert-butyl 3-[2-(4-methylphenyl)sulfonyloxyethoxy]propanoate;3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;4-methylbenzenesulfonyl chloride has a molecular weight of 1836.35 g/mol, XLogP of 6.06, 31 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoate;tert-butyl 3-(2-hydroxyethoxy)propanoate;tert-butyl 3-[2-(4-methylphenyl)sulfonyloxyethoxy]propanoate;3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 159597345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).