1-[3-[[[3-(2-hydroxypropoxy)propyl-methoxy-methylsilyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]propoxy]propan-2-ol

C18H44O8Si3 — CID 18724366

IUPAC1-[3-[[[3-(2-hydroxypropoxy)propyl-methoxy-methylsilyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]propoxy]propan-2-ol
SMILESCO[Si](C)(CCCOCC(C)O)O[Si](C)(C)O[Si](C)(CCCOCC(C)O)OC
InChIInChI=1S/C18H44O8Si3/c1-17(19)15-23-11-9-13-28(7,21-3)25-27(5,6)26-29(8,22-4)14-10-12-24-16-18(2)20/h17-20H,9-16H2,1-8H3
InChIKeyIQNBBEQHTNLLNL-UHFFFAOYSA-N
MW472.80 g/mol
LogP2.73
Rot. Bonds18

About 1-[3-[[[3-(2-hydroxypropoxy)propyl-methoxy-methylsilyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]propoxy]propan-2-ol

1-[3-[[[3-(2-hydroxypropoxy)propyl-methoxy-methylsilyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]propoxy]propan-2-ol (PubChem CID 18724366) has the molecular formula C18H44O8Si3 and a molecular weight of 472.80 g/mol. Its IUPAC name is 1-[3-[[[3-(2-hydroxypropoxy)propyl-methoxy-methylsilyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]propoxy]propan-2-ol.

Molecular Properties

Compound Name1-[3-[[[3-(2-hydroxypropoxy)propyl-methoxy-methylsilyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]propoxy]propan-2-ol
PubChem CID18724366
Molecular FormulaC18H44O8Si3
Molecular Weight472.80 g/mol
Exact Mass472.23
IUPAC Name1-[3-[[[3-(2-hydroxypropoxy)propyl-methoxy-methylsilyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]propoxy]propan-2-ol
SMILESCO[Si](C)(CCCOCC(C)O)O[Si](C)(C)O[Si](C)(CCCOCC(C)O)OC
InChIInChI=1S/C18H44O8Si3/c1-17(19)15-23-11-9-13-28(7,21-3)25-27(5,6)26-29(8,22-4)14-10-12-24-16-18(2)20/h17-20H,9-16H2,1-8H3
InChIKeyIQNBBEQHTNLLNL-UHFFFAOYSA-N
XLogP2.73
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.80
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[3-[[[3-(2-hydroxypropoxy)propyl-methoxy-methylsilyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]propoxy]propan-2-ol with MolForge

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Related Compounds

Cetyl PEG/PPG-10/1 dimethicone
CID 121235915
2-[2-(2-{2-[2-(Tert-butyl-dimethyl-silanyloxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethanol
CID 85805830
2,2,3,3-Tetramethyl-4,7,10,13,16,19-hexaoxa-3-silahenicosan-21-ol
CID 11825440
3-[3-[1,3,3,3-Tetramethyl-1-[(trimethylsilyl)oxy]-1-disiloxanyl]propoxy]-1,2-propanediol
CID 9798708
1,3-Bis(3-(2-hydroxyethoxy)propyl)tetramethyldisiloxane
CID 22558249
2-[3-[[[3-(2-Hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol
CID 20804910
2-[3-[Methyl-bis(trimethylsilyloxy)silyl]propoxy]ethanol
CID 23600195
2-[3-[[[Butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol
CID 57595074
2,2,3,3-Tetramethyl-4,7,10,13,16,19,22,25-octaoxa-3-silaheptacosan-27-ol
CID 89871086
1,3-Bis[3-(2,3-dihydroxypropoxy)propyl]tetramethyldisiloxane
CID 19856298
2-[3-(Heptamethyltrisiloxanyl)propoxy]ethan-1-ol
CID 20801390
2-[2-[3-[[[3-[2-(1-Hydroxypropan-2-yloxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-1-ol
CID 20752226

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[3-(2-hydroxypropoxy)propyl-methoxy-methylsilyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]propoxy]propan-2-ol?
The IUPAC name of 1-[3-[[[3-(2-hydroxypropoxy)propyl-methoxy-methylsilyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]propoxy]propan-2-ol (CID 18724366) is 1-[3-[[[3-(2-hydroxypropoxy)propyl-methoxy-methylsilyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]propoxy]propan-2-ol.
What is the SMILES notation for 1-[3-[[[3-(2-hydroxypropoxy)propyl-methoxy-methylsilyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]propoxy]propan-2-ol?
The canonical SMILES for 1-[3-[[[3-(2-hydroxypropoxy)propyl-methoxy-methylsilyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]propoxy]propan-2-ol is CO[Si](C)(CCCOCC(C)O)O[Si](C)(C)O[Si](C)(CCCOCC(C)O)OC.
What is the InChIKey of 1-[3-[[[3-(2-hydroxypropoxy)propyl-methoxy-methylsilyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]propoxy]propan-2-ol?
The InChIKey is IQNBBEQHTNLLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H44O8Si3/c1-17(19)15-23-11-9-13-28(7,21-3)25-27(5,6)26-29(8,22-4)14-10-12-24-16-18(2)20/h17-20H,9-16H2,1-8H3.
What are the key properties of 1-[3-[[[3-(2-hydroxypropoxy)propyl-methoxy-methylsilyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]propoxy]propan-2-ol?
1-[3-[[[3-(2-hydroxypropoxy)propyl-methoxy-methylsilyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]propoxy]propan-2-ol has a molecular weight of 472.80 g/mol, XLogP of 2.73, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[[3-(2-hydroxypropoxy)propyl-methoxy-methylsilyl]oxy-dimethylsilyl]oxy-methoxy-methylsilyl]propoxy]propan-2-ol is sourced from PubChem (CID 18724366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).