3-[[3-hydroxypropyl-[[3-hydroxypropyl(dimethoxy)silyl]oxy-methoxy-(3-methoxypropyl)silyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propan-1-ol

C19H48O13Si4 — CID 123651399

IUPAC3-[[3-hydroxypropyl-[[3-hydroxypropyl(dimethoxy)silyl]oxy-methoxy-(3-methoxypropyl)silyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propan-1-ol
SMILESCOCCC[Si](OC)(O[Si](CCCO)(OC)OC)O[Si](CCCO)(OC)O[Si](CCCO)(OC)OC
InChIInChI=1S/C19H48O13Si4/c1-23-15-11-19-36(29-7,31-34(26-4,27-5)17-9-13-21)32-35(28-6,18-10-14-22)30-33(24-2,25-3)16-8-12-20/h20-22H,8-19H2,1-7H3
InChIKeyJSFARDAYFBOYSA-UHFFFAOYSA-N
MW596.92 g/mol
LogP0.85
Rot. Bonds25

About 3-[[3-hydroxypropyl-[[3-hydroxypropyl(dimethoxy)silyl]oxy-methoxy-(3-methoxypropyl)silyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propan-1-ol

3-[[3-hydroxypropyl-[[3-hydroxypropyl(dimethoxy)silyl]oxy-methoxy-(3-methoxypropyl)silyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propan-1-ol (PubChem CID 123651399) has the molecular formula C19H48O13Si4 and a molecular weight of 596.92 g/mol. Its IUPAC name is 3-[[3-hydroxypropyl-[[3-hydroxypropyl(dimethoxy)silyl]oxy-methoxy-(3-methoxypropyl)silyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propan-1-ol.

Molecular Properties

Compound Name3-[[3-hydroxypropyl-[[3-hydroxypropyl(dimethoxy)silyl]oxy-methoxy-(3-methoxypropyl)silyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propan-1-ol
PubChem CID123651399
Molecular FormulaC19H48O13Si4
Molecular Weight596.92 g/mol
Exact Mass596.22
IUPAC Name3-[[3-hydroxypropyl-[[3-hydroxypropyl(dimethoxy)silyl]oxy-methoxy-(3-methoxypropyl)silyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propan-1-ol
SMILESCOCCC[Si](OC)(O[Si](CCCO)(OC)OC)O[Si](CCCO)(OC)O[Si](CCCO)(OC)OC
InChIInChI=1S/C19H48O13Si4/c1-23-15-11-19-36(29-7,31-34(26-4,27-5)17-9-13-21)32-35(28-6,18-10-14-22)30-33(24-2,25-3)16-8-12-20/h20-22H,8-19H2,1-7H3
InChIKeyJSFARDAYFBOYSA-UHFFFAOYSA-N
XLogP0.85
TPSA152.99 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.92
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

31-trimethoxysilylhentriacontan-1-ol
CID 87684107
6-trimethoxysilylhexan-1-ol
CID 22497813
16-trimethoxysilylhexadecan-1-ol
CID 87683754
26-trimethoxysilylhexacosan-1-ol
CID 87686281
[dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane
CID 168727663
3-[[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]-N,N-dimethylpropan-1-amine
CID 171623488
3-[[dimethoxy(3-prop-2-enoyloxypropyl)silyl]oxy-dimethoxysilyl]propyl prop-2-enoate
CID 18468769
triethoxy(3-methoxypropyl)silane
CID 22712922
4-methoxy-N-(3-trimethoxysilylpropyl)butan-1-amine
CID 142739557
3-tripropoxysilylpropan-1-ol
CID 19080799
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
2-(3-trimethoxysilylpropylamino)oxyethanol
CID 172861713

Frequently Asked Questions

What is the IUPAC name of 3-[[3-hydroxypropyl-[[3-hydroxypropyl(dimethoxy)silyl]oxy-methoxy-(3-methoxypropyl)silyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propan-1-ol?
The IUPAC name of 3-[[3-hydroxypropyl-[[3-hydroxypropyl(dimethoxy)silyl]oxy-methoxy-(3-methoxypropyl)silyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propan-1-ol (CID 123651399) is 3-[[3-hydroxypropyl-[[3-hydroxypropyl(dimethoxy)silyl]oxy-methoxy-(3-methoxypropyl)silyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propan-1-ol.
What is the SMILES notation for 3-[[3-hydroxypropyl-[[3-hydroxypropyl(dimethoxy)silyl]oxy-methoxy-(3-methoxypropyl)silyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propan-1-ol?
The canonical SMILES for 3-[[3-hydroxypropyl-[[3-hydroxypropyl(dimethoxy)silyl]oxy-methoxy-(3-methoxypropyl)silyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propan-1-ol is COCCC[Si](OC)(O[Si](CCCO)(OC)OC)O[Si](CCCO)(OC)O[Si](CCCO)(OC)OC.
What is the InChIKey of 3-[[3-hydroxypropyl-[[3-hydroxypropyl(dimethoxy)silyl]oxy-methoxy-(3-methoxypropyl)silyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propan-1-ol?
The InChIKey is JSFARDAYFBOYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H48O13Si4/c1-23-15-11-19-36(29-7,31-34(26-4,27-5)17-9-13-21)32-35(28-6,18-10-14-22)30-33(24-2,25-3)16-8-12-20/h20-22H,8-19H2,1-7H3.
What are the key properties of 3-[[3-hydroxypropyl-[[3-hydroxypropyl(dimethoxy)silyl]oxy-methoxy-(3-methoxypropyl)silyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propan-1-ol?
3-[[3-hydroxypropyl-[[3-hydroxypropyl(dimethoxy)silyl]oxy-methoxy-(3-methoxypropyl)silyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propan-1-ol has a molecular weight of 596.92 g/mol, XLogP of 0.85, 25 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-hydroxypropyl-[[3-hydroxypropyl(dimethoxy)silyl]oxy-methoxy-(3-methoxypropyl)silyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propan-1-ol is sourced from PubChem (CID 123651399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).