trihydroxy(1-trihydroxysilyloxybutoxy)silane

C4H14O8Si2 — CID 141431700

IUPACtrihydroxy(1-trihydroxysilyloxybutoxy)silane
SMILESCCCC(O[Si](O)(O)O)O[Si](O)(O)O
InChIInChI=1S/C4H14O8Si2/c1-2-3-4(11-13(5,6)7)12-14(8,9)10/h4-10H,2-3H2,1H3
InChIKeyBJNNWCUGIOVIDV-UHFFFAOYSA-N
MW246.32 g/mol
LogP-3.03
Rot. Bonds6

About trihydroxy(1-trihydroxysilyloxybutoxy)silane

trihydroxy(1-trihydroxysilyloxybutoxy)silane (PubChem CID 141431700) has the molecular formula C4H14O8Si2 and a molecular weight of 246.32 g/mol. Its IUPAC name is trihydroxy(1-trihydroxysilyloxybutoxy)silane.

Molecular Properties

Compound Nametrihydroxy(1-trihydroxysilyloxybutoxy)silane
PubChem CID141431700
Molecular FormulaC4H14O8Si2
Molecular Weight246.32 g/mol
Exact Mass246.02
IUPAC Nametrihydroxy(1-trihydroxysilyloxybutoxy)silane
SMILESCCCC(O[Si](O)(O)O)O[Si](O)(O)O
InChIInChI=1S/C4H14O8Si2/c1-2-3-4(11-13(5,6)7)12-14(8,9)10/h4-10H,2-3H2,1H3
InChIKeyBJNNWCUGIOVIDV-UHFFFAOYSA-N
XLogP-3.03
TPSA139.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.32
LogP ≤ 5-3.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-ethenoxyhexan-2-yloxy(trihydroxy)silane
CID 88505848
dichloromethoxy(trihydroxy)silane
CID 174402564
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
2-trihydroxysilyloxypropane-1,3-diol
CID 19856836
trimethyl(pentan-2-yloxy)silane
CID 552847
O-(1-methoxybutyl)hydroxylamine
CID 143289201
1-(2-methyl-2-sulfanylpropanoyl)oxybutyl 2-methyl-2-sulfanylpropanoate
CID 87208310
bis(1-ethoxybutoxy)-oxoazanium
CID 57161753
4-methylheptane;propane
CID 142171269
heptane;trihydroxy(methoxy)silane
CID 174556151
1-butylperoxy-1-hydroperoxybutane
CID 174403349

Frequently Asked Questions

What is the IUPAC name of trihydroxy(1-trihydroxysilyloxybutoxy)silane?
The IUPAC name of trihydroxy(1-trihydroxysilyloxybutoxy)silane (CID 141431700) is trihydroxy(1-trihydroxysilyloxybutoxy)silane.
What is the SMILES notation for trihydroxy(1-trihydroxysilyloxybutoxy)silane?
The canonical SMILES for trihydroxy(1-trihydroxysilyloxybutoxy)silane is CCCC(O[Si](O)(O)O)O[Si](O)(O)O.
What is the InChIKey of trihydroxy(1-trihydroxysilyloxybutoxy)silane?
The InChIKey is BJNNWCUGIOVIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14O8Si2/c1-2-3-4(11-13(5,6)7)12-14(8,9)10/h4-10H,2-3H2,1H3.
What are the key properties of trihydroxy(1-trihydroxysilyloxybutoxy)silane?
trihydroxy(1-trihydroxysilyloxybutoxy)silane has a molecular weight of 246.32 g/mol, XLogP of -3.03, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy(1-trihydroxysilyloxybutoxy)silane is sourced from PubChem (CID 141431700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).