3-[2-[2-[2-[2-[2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate;1-[6-[2-[2-[2-[2-[2-[2-[2-[8-(4-bromophenoxy)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione;1-[3-oxo-6-[2-[2-[2-[2-[2-[2-[2-[3-oxo-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexyl]pyrrole-2,5-dione;3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate

C174H276B3Br3N2O68 — CID 160869161

IUPAC3-[2-[2-[2-[2-[2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate;1-[6-[2-[2-[2-[2-[2-[2-[2-[8-(4-bromophenoxy)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione;1-[3-oxo-6-[2-[2-[2-[2-[2-[2-[2-[3-oxo-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexyl]pyrrole-2,5-dione;3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
SMILESCC1(C)OB(c2ccc(OCCCCCC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)CCN3C(=O)C=CC3=O)cc2)OC1(C)C.CC1(C)OB(c2ccc(OCCOCCOCCOCCOC(=O)O)cc2)OC1(C)C.CC1(C)OB(c2ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)cc2)OC1(C)C.O=C(CCCCCOc1ccc(Br)cc1)CCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)CCN1C(=O)C=CC1=O.O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(Br)cc1.O=C(O)OCCOCCOCCOCCOc1ccc(Br)cc1
InChIInChI=1S/C44H70BNO15.C38H58BrNO13.C31H53BO13.C25H41BrO11.C21H33BO9.C15H21BrO7/c1-43(2)44(3,4)61-45(60-43)37-11-13-40(14-12-37)59-21-7-5-6-9-39(48)18-22-52-24-26-54-28-30-56-32-34-58-36-35-57-33-31-55-29-27-53-25-23-51-20-8-10-38(47)17-19-46-41(49)15-16-42(46)50;39-33-7-9-36(10-8-33)53-17-3-1-2-5-35(42)14-18-46-20-22-48-24-26-50-28-30-52-32-31-51-29-27-49-25-23-47-21-19-45-16-4-6-34(41)13-15-40-37(43)11-12-38(40)44;1-30(2)31(3,4)45-32(44-30)27-5-7-28(8-6-27)43-26-25-42-24-23-41-22-21-40-20-19-39-18-17-38-16-15-37-14-13-36-12-11-35-10-9-29(33)34;26-23-1-3-24(4-2-23)37-22-21-36-20-19-35-18-17-34-16-15-33-14-13-32-12-11-31-10-9-30-8-7-29-6-5-25(27)28;1-20(2)21(3,4)31-22(30-20)17-5-7-18(8-6-17)28-15-13-26-11-9-25-10-12-27-14-16-29-19(23)24;16-13-1-3-14(4-2-13)22-11-9-20-7-5-19-6-8-21-10-12-23-15(17)18/h11-16H,5-10,17-36H2,1-4H3;7-12H,1-6,13-32H2;5-8H,9-26H2,1-4H3,(H,33,34);1-4H,5-22H2,(H,27,28);5-8H,9-16H2,1-4H3,(H,23,24);1-4H,5-12H2,(H,17,18)
InChIKeySLNLHSSATBXVNH-UHFFFAOYSA-N
MW3756.22 g/mol
LogP16.91
Rot. Bonds161

About 3-[2-[2-[2-[2-[2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate;1-[6-[2-[2-[2-[2-[2-[2-[2-[8-(4-bromophenoxy)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione;1-[3-oxo-6-[2-[2-[2-[2-[2-[2-[2-[3-oxo-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexyl]pyrrole-2,5-dione;3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate

3-[2-[2-[2-[2-[2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate;1-[6-[2-[2-[2-[2-[2-[2-[2-[8-(4-bromophenoxy)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione;1-[3-oxo-6-[2-[2-[2-[2-[2-[2-[2-[3-oxo-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexyl]pyrrole-2,5-dione;3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate (PubChem CID 160869161) has the molecular formula C174H276B3Br3N2O68 and a molecular weight of 3756.22 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate;1-[6-[2-[2-[2-[2-[2-[2-[2-[8-(4-bromophenoxy)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione;1-[3-oxo-6-[2-[2-[2-[2-[2-[2-[2-[3-oxo-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexyl]pyrrole-2,5-dione;3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate;1-[6-[2-[2-[2-[2-[2-[2-[2-[8-(4-bromophenoxy)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione;1-[3-oxo-6-[2-[2-[2-[2-[2-[2-[2-[3-oxo-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexyl]pyrrole-2,5-dione;3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
PubChem CID160869161
Molecular FormulaC174H276B3Br3N2O68
Molecular Weight3756.22 g/mol
Exact Mass3751.60
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate;1-[6-[2-[2-[2-[2-[2-[2-[2-[8-(4-bromophenoxy)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione;1-[3-oxo-6-[2-[2-[2-[2-[2-[2-[2-[3-oxo-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexyl]pyrrole-2,5-dione;3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
SMILESCC1(C)OB(c2ccc(OCCCCCC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)CCN3C(=O)C=CC3=O)cc2)OC1(C)C.CC1(C)OB(c2ccc(OCCOCCOCCOCCOC(=O)O)cc2)OC1(C)C.CC1(C)OB(c2ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)cc2)OC1(C)C.O=C(CCCCCOc1ccc(Br)cc1)CCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)CCN1C(=O)C=CC1=O.O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(Br)cc1.O=C(O)OCCOCCOCCOCCOc1ccc(Br)cc1
InChIInChI=1S/C44H70BNO15.C38H58BrNO13.C31H53BO13.C25H41BrO11.C21H33BO9.C15H21BrO7/c1-43(2)44(3,4)61-45(60-43)37-11-13-40(14-12-37)59-21-7-5-6-9-39(48)18-22-52-24-26-54-28-30-56-32-34-58-36-35-57-33-31-55-29-27-53-25-23-51-20-8-10-38(47)17-19-46-41(49)15-16-42(46)50;39-33-7-9-36(10-8-33)53-17-3-1-2-5-35(42)14-18-46-20-22-48-24-26-50-28-30-52-32-31-51-29-27-49-25-23-47-21-19-45-16-4-6-34(41)13-15-40-37(43)11-12-38(40)44;1-30(2)31(3,4)45-32(44-30)27-5-7-28(8-6-27)43-26-25-42-24-23-41-22-21-40-20-19-39-18-17-38-16-15-37-14-13-36-12-11-35-10-9-29(33)34;26-23-1-3-24(4-2-23)37-22-21-36-20-19-35-18-17-34-16-15-33-14-13-32-12-11-31-10-9-30-8-7-29-6-5-25(27)28;1-20(2)21(3,4)31-22(30-20)17-5-7-18(8-6-17)28-15-13-26-11-9-25-10-12-27-14-16-29-19(23)24;16-13-1-3-14(4-2-13)22-11-9-20-7-5-19-6-8-21-10-12-23-15(17)18/h11-16H,5-10,17-36H2,1-4H3;7-12H,1-6,13-32H2;5-8H,9-26H2,1-4H3,(H,33,34);1-4H,5-22H2,(H,27,28);5-8H,9-16H2,1-4H3,(H,23,24);1-4H,5-12H2,(H,17,18)
InChIKeySLNLHSSATBXVNH-UHFFFAOYSA-N
XLogP16.91
TPSA772.20 Ų
H-Bond Donors4
H-Bond Acceptors64
Rotatable Bonds161
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003756.22
LogP ≤ 516.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1064

Computed Properties (RDKit)

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

Analyze 3-[2-[2-[2-[2-[2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate;1-[6-[2-[2-[2-[2-[2-[2-[2-[8-(4-bromophenoxy)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione;1-[3-oxo-6-[2-[2-[2-[2-[2-[2-[2-[3-oxo-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexyl]pyrrole-2,5-dione;3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate 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

1-[6-[2-[2-[2-[2-[2-[2-[2-[8-(4-bromophenoxy)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione;1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octan-3-one;1-(3-oxohexyl)pyrrole-2,5-dione;1-[3-oxo-6-[2-[3-oxo-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octoxy]ethoxy]hexyl]pyrrole-2,5-dione
CID 161301500
2-[3-oxo-6-[2-[3-oxo-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octoxy]ethoxy]hexyl]cyclopent-4-ene-1,3-dione
CID 58479291
1-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octan-3-one
CID 58473716
3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 162034103
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 162034105
1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,28-dioxononacosoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione
CID 123169604
22-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]-20-oxodocosanoic acid
CID 123221615
tert-butyl 4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]butanoate
CID 149301534
2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 153491025
bis(3-[6-[2-[3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]propanoylamino]ethoxy]-4-oxohexoxy]propanoic acid);3-[2-[3-[6-[2-[3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]propanoylamino]ethoxy]-4-oxohexoxy]propanoylamino]ethoxy]propanoic acid
CID 167632097
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 67296391
2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]acetic acid
CID 158949468

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate;1-[6-[2-[2-[2-[2-[2-[2-[2-[8-(4-bromophenoxy)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione;1-[3-oxo-6-[2-[2-[2-[2-[2-[2-[2-[3-oxo-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexyl]pyrrole-2,5-dione;3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate?
The IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate;1-[6-[2-[2-[2-[2-[2-[2-[2-[8-(4-bromophenoxy)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione;1-[3-oxo-6-[2-[2-[2-[2-[2-[2-[2-[3-oxo-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexyl]pyrrole-2,5-dione;3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate (CID 160869161) is 3-[2-[2-[2-[2-[2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate;1-[6-[2-[2-[2-[2-[2-[2-[2-[8-(4-bromophenoxy)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione;1-[3-oxo-6-[2-[2-[2-[2-[2-[2-[2-[3-oxo-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexyl]pyrrole-2,5-dione;3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate.
What is the SMILES notation for 3-[2-[2-[2-[2-[2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate;1-[6-[2-[2-[2-[2-[2-[2-[2-[8-(4-bromophenoxy)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione;1-[3-oxo-6-[2-[2-[2-[2-[2-[2-[2-[3-oxo-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexyl]pyrrole-2,5-dione;3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate?
The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate;1-[6-[2-[2-[2-[2-[2-[2-[2-[8-(4-bromophenoxy)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione;1-[3-oxo-6-[2-[2-[2-[2-[2-[2-[2-[3-oxo-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexyl]pyrrole-2,5-dione;3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate is CC1(C)OB(c2ccc(OCCCCCC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)CCN3C(=O)C=CC3=O)cc2)OC1(C)C.CC1(C)OB(c2ccc(OCCOCCOCCOCCOC(=O)O)cc2)OC1(C)C.CC1(C)OB(c2ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)cc2)OC1(C)C.O=C(CCCCCOc1ccc(Br)cc1)CCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)CCN1C(=O)C=CC1=O.O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(Br)cc1.O=C(O)OCCOCCOCCOCCOc1ccc(Br)cc1.
What is the InChIKey of 3-[2-[2-[2-[2-[2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate;1-[6-[2-[2-[2-[2-[2-[2-[2-[8-(4-bromophenoxy)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione;1-[3-oxo-6-[2-[2-[2-[2-[2-[2-[2-[3-oxo-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexyl]pyrrole-2,5-dione;3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate?
The InChIKey is SLNLHSSATBXVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H70BNO15.C38H58BrNO13.C31H53BO13.C25H41BrO11.C21H33BO9.C15H21BrO7/c1-43(2)44(3,4)61-45(60-43)37-11-13-40(14-12-37)59-21-7-5-6-9-39(48)18-22-52-24-26-54-28-30-56-32-34-58-36-35-57-33-31-55-29-27-53-25-23-51-20-8-10-38(47)17-19-46-41(49)15-16-42(46)50;39-33-7-9-36(10-8-33)53-17-3-1-2-5-35(42)14-18-46-20-22-48-24-26-50-28-30-52-32-31-51-29-27-49-25-23-47-21-19-45-16-4-6-34(41)13-15-40-37(43)11-12-38(40)44;1-30(2)31(3,4)45-32(44-30)27-5-7-28(8-6-27)43-26-25-42-24-23-41-22-21-40-20-19-39-18-17-38-16-15-37-14-13-36-12-11-35-10-9-29(33)34;26-23-1-3-24(4-2-23)37-22-21-36-20-19-35-18-17-34-16-15-33-14-13-32-12-11-31-10-9-30-8-7-29-6-5-25(27)28;1-20(2)21(3,4)31-22(30-20)17-5-7-18(8-6-17)28-15-13-26-11-9-25-10-12-27-14-16-29-19(23)24;16-13-1-3-14(4-2-13)22-11-9-20-7-5-19-6-8-21-10-12-23-15(17)18/h11-16H,5-10,17-36H2,1-4H3;7-12H,1-6,13-32H2;5-8H,9-26H2,1-4H3,(H,33,34);1-4H,5-22H2,(H,27,28);5-8H,9-16H2,1-4H3,(H,23,24);1-4H,5-12H2,(H,17,18).
What are the key properties of 3-[2-[2-[2-[2-[2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate;1-[6-[2-[2-[2-[2-[2-[2-[2-[8-(4-bromophenoxy)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione;1-[3-oxo-6-[2-[2-[2-[2-[2-[2-[2-[3-oxo-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexyl]pyrrole-2,5-dione;3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate?
3-[2-[2-[2-[2-[2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate;1-[6-[2-[2-[2-[2-[2-[2-[2-[8-(4-bromophenoxy)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione;1-[3-oxo-6-[2-[2-[2-[2-[2-[2-[2-[3-oxo-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexyl]pyrrole-2,5-dione;3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate has a molecular weight of 3756.22 g/mol, XLogP of 16.91, 161 rotatable bonds, 4 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate;1-[6-[2-[2-[2-[2-[2-[2-[2-[8-(4-bromophenoxy)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione;1-[3-oxo-6-[2-[2-[2-[2-[2-[2-[2-[3-oxo-8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]octoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexyl]pyrrole-2,5-dione;3-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate is sourced from PubChem (CID 160869161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).