trihydroxy-[octadecyl-bis(trihydroxysilyloxy)silyl]oxysilane

C18H46O12Si4 — CID 101049224

IUPACtrihydroxy-[octadecyl-bis(trihydroxysilyloxy)silyl]oxysilane
SMILESCCCCCCCCCCCCCCCCCC[Si](O[Si](O)(O)O)(O[Si](O)(O)O)O[Si](O)(O)O
InChIInChI=1S/C18H46O12Si4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31(28-32(19,20)21,29-33(22,23)24)30-34(25,26)27/h19-27H,2-18H2,1H3
InChIKeyWRPYPVBLNVHTOU-UHFFFAOYSA-N
MW566.90 g/mol
LogP0.47
Rot. Bonds23

About trihydroxy-[octadecyl-bis(trihydroxysilyloxy)silyl]oxysilane

trihydroxy-[octadecyl-bis(trihydroxysilyloxy)silyl]oxysilane (PubChem CID 101049224) has the molecular formula C18H46O12Si4 and a molecular weight of 566.90 g/mol. Its IUPAC name is trihydroxy-[octadecyl-bis(trihydroxysilyloxy)silyl]oxysilane.

Molecular Properties

Compound Nametrihydroxy-[octadecyl-bis(trihydroxysilyloxy)silyl]oxysilane
PubChem CID101049224
Molecular FormulaC18H46O12Si4
Molecular Weight566.90 g/mol
Exact Mass566.21
IUPAC Nametrihydroxy-[octadecyl-bis(trihydroxysilyloxy)silyl]oxysilane
SMILESCCCCCCCCCCCCCCCCCC[Si](O[Si](O)(O)O)(O[Si](O)(O)O)O[Si](O)(O)O
InChIInChI=1S/C18H46O12Si4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31(28-32(19,20)21,29-33(22,23)24)30-34(25,26)27/h19-27H,2-18H2,1H3
InChIKeyWRPYPVBLNVHTOU-UHFFFAOYSA-N
XLogP0.47
TPSA209.76 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500566.90
LogP ≤ 50.47
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

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

dodecyl-tris(trimethylsilyloxy)silane
CID 23033816
[dichlorooxy(dodecyl)silyl] hypochlorite
CID 141441116
hexacosyl(trimethoxy)silane
CID 150262252
trimethoxy(pentacontyl)silane
CID 87930715
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
[dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane
CID 168727663
heptane;trihydroxy(methoxy)silane
CID 174556151
dodecyl(triethoxy)silane;tridecane
CID 174970002

Frequently Asked Questions

What is the IUPAC name of trihydroxy-[octadecyl-bis(trihydroxysilyloxy)silyl]oxysilane?
The IUPAC name of trihydroxy-[octadecyl-bis(trihydroxysilyloxy)silyl]oxysilane (CID 101049224) is trihydroxy-[octadecyl-bis(trihydroxysilyloxy)silyl]oxysilane.
What is the SMILES notation for trihydroxy-[octadecyl-bis(trihydroxysilyloxy)silyl]oxysilane?
The canonical SMILES for trihydroxy-[octadecyl-bis(trihydroxysilyloxy)silyl]oxysilane is CCCCCCCCCCCCCCCCCC[Si](O[Si](O)(O)O)(O[Si](O)(O)O)O[Si](O)(O)O.
What is the InChIKey of trihydroxy-[octadecyl-bis(trihydroxysilyloxy)silyl]oxysilane?
The InChIKey is WRPYPVBLNVHTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H46O12Si4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31(28-32(19,20)21,29-33(22,23)24)30-34(25,26)27/h19-27H,2-18H2,1H3.
What are the key properties of trihydroxy-[octadecyl-bis(trihydroxysilyloxy)silyl]oxysilane?
trihydroxy-[octadecyl-bis(trihydroxysilyloxy)silyl]oxysilane has a molecular weight of 566.90 g/mol, XLogP of 0.47, 23 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[octadecyl-bis(trihydroxysilyloxy)silyl]oxysilane is sourced from PubChem (CID 101049224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).