2,2-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol;2,2-bis[3-tris(trimethylsilyloxy)silylpropyl]propane-1,3-diol;2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol

C71H186O19Si19 — CID 160879277

IUPAC2,2-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol;2,2-bis[3-tris(trimethylsilyloxy)silylpropyl]propane-1,3-diol;2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol
SMILESC[Si](C)(C)O[Si](C)(C)CCCC(CO)(CO)CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.C[Si](C)(C)O[Si](C)(CCCC(CO)(CO)CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C.C[Si](C)(C)O[Si](CCCC(CO)(CO)CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C27H72O8Si8.C23H60O6Si6.C21H54O5Si5/c1-36(2,3)30-42(31-37(4,5)6,32-38(7,8)9)23-19-21-27(25-28,26-29)22-20-24-43(33-39(10,11)12,34-40(13,14)15)35-41(16,17)18;1-30(2,3)26-34(13,27-31(4,5)6)19-15-17-23(21-24,22-25)18-16-20-35(14,28-32(7,8)9)29-33(10,11)12;1-27(2,3)24-30(10,11)17-13-15-21(19-22,20-23)16-14-18-31(12,25-28(4,5)6)26-29(7,8)9/h28-29H,19-26H2,1-18H3;24-25H,15-22H2,1-14H3;22-23H,13-20H2,1-12H3
InChIKeySMUZGOYVTFAOJP-UHFFFAOYSA-N
MW1877.88 g/mol
LogP21.92
Rot. Bonds56

About 2,2-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol;2,2-bis[3-tris(trimethylsilyloxy)silylpropyl]propane-1,3-diol;2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol

2,2-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol;2,2-bis[3-tris(trimethylsilyloxy)silylpropyl]propane-1,3-diol;2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol (PubChem CID 160879277) has the molecular formula C71H186O19Si19 and a molecular weight of 1877.88 g/mol. Its IUPAC name is 2,2-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol;2,2-bis[3-tris(trimethylsilyloxy)silylpropyl]propane-1,3-diol;2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol.

Molecular Properties

Compound Name2,2-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol;2,2-bis[3-tris(trimethylsilyloxy)silylpropyl]propane-1,3-diol;2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol
PubChem CID160879277
Molecular FormulaC71H186O19Si19
Molecular Weight1877.88 g/mol
Exact Mass1874.92
IUPAC Name2,2-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol;2,2-bis[3-tris(trimethylsilyloxy)silylpropyl]propane-1,3-diol;2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol
SMILESC[Si](C)(C)O[Si](C)(C)CCCC(CO)(CO)CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.C[Si](C)(C)O[Si](C)(CCCC(CO)(CO)CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C.C[Si](C)(C)O[Si](CCCC(CO)(CO)CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C27H72O8Si8.C23H60O6Si6.C21H54O5Si5/c1-36(2,3)30-42(31-37(4,5)6,32-38(7,8)9)23-19-21-27(25-28,26-29)22-20-24-43(33-39(10,11)12,34-40(13,14)15)35-41(16,17)18;1-30(2,3)26-34(13,27-31(4,5)6)19-15-17-23(21-24,22-25)18-16-20-35(14,28-32(7,8)9)29-33(10,11)12;1-27(2,3)24-30(10,11)17-13-15-21(19-22,20-23)16-14-18-31(12,25-28(4,5)6)26-29(7,8)9/h28-29H,19-26H2,1-18H3;24-25H,15-22H2,1-14H3;22-23H,13-20H2,1-12H3
InChIKeySMUZGOYVTFAOJP-UHFFFAOYSA-N
XLogP21.92
TPSA241.37 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds56
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001877.88
LogP ≤ 521.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2,2-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol;2,2-bis[3-tris(trimethylsilyloxy)silylpropyl]propane-1,3-diol;2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol with MolForge

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Related Compounds

2,2-bis[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propyl]propane-1,3-diol;2,2-bis[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]propane-1,3-diol;2,2-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]propane-1,3-diol;2,2-bis[3-[dimethyl(trimethylsilyloxy)silyl]propyl]propane-1,3-diol
CID 160690049
2,2-bis[3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]propane-1,3-diol;2,2-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol;2,2-bis(3-triethylsilylpropyl)propane-1,3-diol
CID 157135792
2,2-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]propane-1,3-diol
CID 165155198
2,2-bis[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propoxymethyl]propane-1,3-diol;2,2-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxymethyl]propane-1,3-diol;2,2-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol;methane
CID 157213535
2-[[methyl-bis(trimethylsilyloxy)silyl]methoxymethyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol
CID 153470020
7-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]-2,2-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxymethyl]heptan-1-ol
CID 59565854
6-[methyl-bis(trimethylsilyloxy)silyl]hexan-1-ol
CID 59029801
2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol
CID 153425775
2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3,4,5-tris[3-tris(trimethylsilyloxy)silylpropoxy]hexane-1,6-diol
CID 153425816
6-[[6-hydroxyhexyl-[6-hydroxyhexyl(dimethyl)silyl]oxy-methylsilyl]oxy-dimethylsilyl]hexan-1-ol
CID 58975336
2-methyl-2-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,3-diol
CID 140891430
2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethyl-trimethylsilyloxysilane
CID 53406149

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol;2,2-bis[3-tris(trimethylsilyloxy)silylpropyl]propane-1,3-diol;2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol?
The IUPAC name of 2,2-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol;2,2-bis[3-tris(trimethylsilyloxy)silylpropyl]propane-1,3-diol;2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol (CID 160879277) is 2,2-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol;2,2-bis[3-tris(trimethylsilyloxy)silylpropyl]propane-1,3-diol;2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol.
What is the SMILES notation for 2,2-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol;2,2-bis[3-tris(trimethylsilyloxy)silylpropyl]propane-1,3-diol;2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol?
The canonical SMILES for 2,2-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol;2,2-bis[3-tris(trimethylsilyloxy)silylpropyl]propane-1,3-diol;2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol is C[Si](C)(C)O[Si](C)(C)CCCC(CO)(CO)CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.C[Si](C)(C)O[Si](C)(CCCC(CO)(CO)CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C.C[Si](C)(C)O[Si](CCCC(CO)(CO)CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2,2-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol;2,2-bis[3-tris(trimethylsilyloxy)silylpropyl]propane-1,3-diol;2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol?
The InChIKey is SMUZGOYVTFAOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H72O8Si8.C23H60O6Si6.C21H54O5Si5/c1-36(2,3)30-42(31-37(4,5)6,32-38(7,8)9)23-19-21-27(25-28,26-29)22-20-24-43(33-39(10,11)12,34-40(13,14)15)35-41(16,17)18;1-30(2,3)26-34(13,27-31(4,5)6)19-15-17-23(21-24,22-25)18-16-20-35(14,28-32(7,8)9)29-33(10,11)12;1-27(2,3)24-30(10,11)17-13-15-21(19-22,20-23)16-14-18-31(12,25-28(4,5)6)26-29(7,8)9/h28-29H,19-26H2,1-18H3;24-25H,15-22H2,1-14H3;22-23H,13-20H2,1-12H3.
What are the key properties of 2,2-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol;2,2-bis[3-tris(trimethylsilyloxy)silylpropyl]propane-1,3-diol;2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol?
2,2-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol;2,2-bis[3-tris(trimethylsilyloxy)silylpropyl]propane-1,3-diol;2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol has a molecular weight of 1877.88 g/mol, XLogP of 21.92, 56 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol;2,2-bis[3-tris(trimethylsilyloxy)silylpropyl]propane-1,3-diol;2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]propane-1,3-diol is sourced from PubChem (CID 160879277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).