3-[1-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]propoxy]propane-1,2-diol

C19H52O8Si6 — CID 87433103

IUPAC3-[1-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]propoxy]propane-1,2-diol
SMILESCCC(OCC(O)CO)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H52O8Si6/c1-15-19(22-17-18(21)16-20)33(25-30(8,9)10,26-31(11,12)13)27-32(14,23-28(2,3)4)24-29(5,6)7/h18-21H,15-17H2,1-14H3
InChIKeyHZVPELYPCNOMOU-UHFFFAOYSA-N
MW577.13 g/mol
LogP4.60
Rot. Bonds16

About 3-[1-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]propoxy]propane-1,2-diol

3-[1-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]propoxy]propane-1,2-diol (PubChem CID 87433103) has the molecular formula C19H52O8Si6 and a molecular weight of 577.13 g/mol. Its IUPAC name is 3-[1-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]propoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[1-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]propoxy]propane-1,2-diol
PubChem CID87433103
Molecular FormulaC19H52O8Si6
Molecular Weight577.13 g/mol
Exact Mass576.23
IUPAC Name3-[1-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]propoxy]propane-1,2-diol
SMILESCCC(OCC(O)CO)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H52O8Si6/c1-15-19(22-17-18(21)16-20)33(25-30(8,9)10,26-31(11,12)13)27-32(14,23-28(2,3)4)24-29(5,6)7/h18-21H,15-17H2,1-14H3
InChIKeyHZVPELYPCNOMOU-UHFFFAOYSA-N
XLogP4.60
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.13
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxypentan-2-yloxy)propane-1,2-diol
CID 123265934
[2-hydroxy-3-[1-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl] 2-methylprop-2-enoate
CID 87222684
3-hexadecan-6-yloxypropane-1,2-diol
CID 89303586
3-icosan-7-yloxypropane-1,2-diol
CID 22013131
3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol
CID 87843229
2-(2,3-dihydroxypropoxy)propanenitrile
CID 54069244
3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol
CID 58479003
ethyl 2-(2,3-dihydroxypropoxy)butanoate
CID 174629792
2,3-bis(2,3-dihydroxypropoxy)butanedioic acid
CID 174626088
3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propoxy]propoxy]propoxy]propoxy]propane-1,2-diol
CID 164730273
2,3-dihydroxypropyl hypobromite
CID 23618335
1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one
CID 174650131

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]propoxy]propane-1,2-diol?
The IUPAC name of 3-[1-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]propoxy]propane-1,2-diol (CID 87433103) is 3-[1-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]propoxy]propane-1,2-diol.
What is the SMILES notation for 3-[1-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]propoxy]propane-1,2-diol?
The canonical SMILES for 3-[1-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]propoxy]propane-1,2-diol is CCC(OCC(O)CO)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 3-[1-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]propoxy]propane-1,2-diol?
The InChIKey is HZVPELYPCNOMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H52O8Si6/c1-15-19(22-17-18(21)16-20)33(25-30(8,9)10,26-31(11,12)13)27-32(14,23-28(2,3)4)24-29(5,6)7/h18-21H,15-17H2,1-14H3.
What are the key properties of 3-[1-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]propoxy]propane-1,2-diol?
3-[1-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]propoxy]propane-1,2-diol has a molecular weight of 577.13 g/mol, XLogP of 4.60, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]propoxy]propane-1,2-diol is sourced from PubChem (CID 87433103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).