bis(1-benzylsulfanyl-3-[3-[methoxy(dimethyl)silyl]propoxy]propan-2-ol);1-[3-[methoxy(dimethyl)silyl]propoxy]-3-phenylmethoxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylamino)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylmethoxy)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-yloxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-ylsulfanylpropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]propan-2-ol

C127H227BN6O29S3Si8 — CID 160824884

About bis(1-benzylsulfanyl-3-[3-[methoxy(dimethyl)silyl]propoxy]propan-2-ol);1-[3-[methoxy(dimethyl)silyl]propoxy]-3-phenylmethoxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylamino)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylmethoxy)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-yloxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-ylsulfanylpropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]propan-2-ol

bis(1-benzylsulfanyl-3-[3-[methoxy(dimethyl)silyl]propoxy]propan-2-ol);1-[3-[methoxy(dimethyl)silyl]propoxy]-3-phenylmethoxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylamino)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylmethoxy)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-yloxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-ylsulfanylpropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]propan-2-ol (PubChem CID 160824884) has the molecular formula C127H227BN6O29S3Si8 and a molecular weight of 2633.93 g/mol. Its IUPAC name is bis(1-benzylsulfanyl-3-[3-[methoxy(dimethyl)silyl]propoxy]propan-2-ol);1-[3-[methoxy(dimethyl)silyl]propoxy]-3-phenylmethoxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylamino)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylmethoxy)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-yloxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-ylsulfanylpropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]propan-2-ol.

Molecular Properties

• Compound Name: bis(1-benzylsulfanyl-3-[3-[methoxy(dimethyl)silyl]propoxy]propan-2-ol);1-[3-[methoxy(dimethyl)silyl]propoxy]-3-phenylmethoxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylamino)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylmethoxy)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-yloxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-ylsulfanylpropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]propan-2-ol
• PubChem CID: 160824884
• Molecular Formula: C127H227BN6O29S3Si8
• Molecular Weight: 2633.93 g/mol
• Exact Mass: 2631.39
• IUPAC Name: bis(1-benzylsulfanyl-3-[3-[methoxy(dimethyl)silyl]propoxy]propan-2-ol);1-[3-[methoxy(dimethyl)silyl]propoxy]-3-phenylmethoxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylamino)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylmethoxy)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-yloxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-ylsulfanylpropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]propan-2-ol
• SMILES: CO[Si](C)(C)CCCOCC(O)CNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.CO[Si](C)(C)CCCOCC(O)CNc1ccccn1.CO[Si](C)(C)CCCOCC(O)COCc1ccccc1.CO[Si](C)(C)CCCOCC(O)COCc1ccccn1.CO[Si](C)(C)CCCOCC(O)COc1ccccn1.CO[Si](C)(C)CCCOCC(O)CSCc1ccccc1.CO[Si](C)(C)CCCOCC(O)CSCc1ccccc1.CO[Si](C)(C)CCCOCC(O)CSc1ccccn1
• InChI: InChI=1S/C22H40BNO5Si.C16H28O4Si.2C16H28O3SSi.C15H27NO4Si.C14H26N2O3Si.C14H25NO4Si.C14H25NO3SSi/c1-21(2)22(3,4)29-23(28-21)19-11-9-18(10-12-19)15-24-16-20(25)17-27-13-8-14-30(6,7)26-5;1-18-21(2,3)11-7-10-19-13-16(17)14-20-12-15-8-5-4-6-9-15;2*1-18-21(2,3)11-7-10-19-12-16(17)14-20-13-15-8-5-4-6-9-15;1-18-21(2,3)10-6-9-19-12-15(17)13-20-11-14-7-4-5-8-16-14;1-18-20(2,3)10-6-9-19-12-13(17)11-16-14-7-4-5-8-15-14;2*1-17-20(2,3)10-6-9-18-11-13(16)12-19-14-7-4-5-8-15-14/h9-12,20,24-25H,8,13-17H2,1-7H3;3*4-6,8-9,16-17H,7,10-14H2,1-3H3;4-5,7-8,15,17H,6,9-13H2,1-3H3;4-5,7-8,13,17H,6,9-12H2,1-3H3,(H,15,16);2*4-5,7-8,13,16H,6,9-12H2,1-3H3
• InChIKey: SGAIHNSOEAMRIV-UHFFFAOYSA-N
• XLogP: 21.80
• TPSA: 431.29 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 86
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2633.93
LogP ≤ 5	21.80
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-benzylsulfanyl-3-[3-[methoxy(dimethyl)silyl]propoxy]propan-2-ol);1-[3-[methoxy(dimethyl)silyl]propoxy]-3-phenylmethoxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylamino)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylmethoxy)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-yloxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-ylsulfanylpropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]propan-2-ol?

The IUPAC name of bis(1-benzylsulfanyl-3-[3-[methoxy(dimethyl)silyl]propoxy]propan-2-ol);1-[3-[methoxy(dimethyl)silyl]propoxy]-3-phenylmethoxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylamino)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylmethoxy)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-yloxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-ylsulfanylpropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]propan-2-ol (CID 160824884) is bis(1-benzylsulfanyl-3-[3-[methoxy(dimethyl)silyl]propoxy]propan-2-ol);1-[3-[methoxy(dimethyl)silyl]propoxy]-3-phenylmethoxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylamino)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylmethoxy)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-yloxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-ylsulfanylpropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]propan-2-ol.

What is the SMILES notation for bis(1-benzylsulfanyl-3-[3-[methoxy(dimethyl)silyl]propoxy]propan-2-ol);1-[3-[methoxy(dimethyl)silyl]propoxy]-3-phenylmethoxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylamino)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylmethoxy)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-yloxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-ylsulfanylpropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]propan-2-ol?

The canonical SMILES for bis(1-benzylsulfanyl-3-[3-[methoxy(dimethyl)silyl]propoxy]propan-2-ol);1-[3-[methoxy(dimethyl)silyl]propoxy]-3-phenylmethoxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylamino)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylmethoxy)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-yloxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-ylsulfanylpropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]propan-2-ol is CO[Si](C)(C)CCCOCC(O)CNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.CO[Si](C)(C)CCCOCC(O)CNc1ccccn1.CO[Si](C)(C)CCCOCC(O)COCc1ccccc1.CO[Si](C)(C)CCCOCC(O)COCc1ccccn1.CO[Si](C)(C)CCCOCC(O)COc1ccccn1.CO[Si](C)(C)CCCOCC(O)CSCc1ccccc1.CO[Si](C)(C)CCCOCC(O)CSCc1ccccc1.CO[Si](C)(C)CCCOCC(O)CSc1ccccn1.

What is the InChIKey of bis(1-benzylsulfanyl-3-[3-[methoxy(dimethyl)silyl]propoxy]propan-2-ol);1-[3-[methoxy(dimethyl)silyl]propoxy]-3-phenylmethoxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylamino)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylmethoxy)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-yloxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-ylsulfanylpropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]propan-2-ol?

The InChIKey is SGAIHNSOEAMRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40BNO5Si.C16H28O4Si.2C16H28O3SSi.C15H27NO4Si.C14H26N2O3Si.C14H25NO4Si.C14H25NO3SSi/c1-21(2)22(3,4)29-23(28-21)19-11-9-18(10-12-19)15-24-16-20(25)17-27-13-8-14-30(6,7)26-5;1-18-21(2,3)11-7-10-19-13-16(17)14-20-12-15-8-5-4-6-9-15;2*1-18-21(2,3)11-7-10-19-12-16(17)14-20-13-15-8-5-4-6-9-15;1-18-21(2,3)10-6-9-19-12-15(17)13-20-11-14-7-4-5-8-16-14;1-18-20(2,3)10-6-9-19-12-13(17)11-16-14-7-4-5-8-15-14;2*1-17-20(2,3)10-6-9-18-11-13(16)12-19-14-7-4-5-8-15-14/h9-12,20,24-25H,8,13-17H2,1-7H3;3*4-6,8-9,16-17H,7,10-14H2,1-3H3;4-5,7-8,15,17H,6,9-13H2,1-3H3;4-5,7-8,13,17H,6,9-12H2,1-3H3,(H,15,16);2*4-5,7-8,13,16H,6,9-12H2,1-3H3.

What are the key properties of bis(1-benzylsulfanyl-3-[3-[methoxy(dimethyl)silyl]propoxy]propan-2-ol);1-[3-[methoxy(dimethyl)silyl]propoxy]-3-phenylmethoxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylamino)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylmethoxy)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-yloxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-ylsulfanylpropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]propan-2-ol?

bis(1-benzylsulfanyl-3-[3-[methoxy(dimethyl)silyl]propoxy]propan-2-ol);1-[3-[methoxy(dimethyl)silyl]propoxy]-3-phenylmethoxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylamino)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylmethoxy)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-yloxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-ylsulfanylpropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]propan-2-ol has a molecular weight of 2633.93 g/mol, XLogP of 21.80, 86 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-benzylsulfanyl-3-[3-[methoxy(dimethyl)silyl]propoxy]propan-2-ol);1-[3-[methoxy(dimethyl)silyl]propoxy]-3-phenylmethoxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylamino)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-(pyridin-2-ylmethoxy)propan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-yloxypropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-pyridin-2-ylsulfanylpropan-2-ol;1-[3-[methoxy(dimethyl)silyl]propoxy]-3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 160824884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).