4-ethenoxybutoxy-ethoxy-dihydroxysilane

C8H18O5Si — CID 154421328

IUPAC4-ethenoxybutoxy-ethoxy-dihydroxysilane
SMILESC=COCCCCO[Si](O)(O)OCC
InChIInChI=1S/C8H18O5Si/c1-3-11-7-5-6-8-13-14(9,10)12-4-2/h3,9-10H,1,4-8H2,2H3
InChIKeyNHWJOYMRQQIFDL-UHFFFAOYSA-N
MW222.31 g/mol
LogP0.40
Rot. Bonds9

About 4-ethenoxybutoxy-ethoxy-dihydroxysilane

4-ethenoxybutoxy-ethoxy-dihydroxysilane (PubChem CID 154421328) has the molecular formula C8H18O5Si and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-ethenoxybutoxy-ethoxy-dihydroxysilane.

Molecular Properties

Compound Name4-ethenoxybutoxy-ethoxy-dihydroxysilane
PubChem CID154421328
Molecular FormulaC8H18O5Si
Molecular Weight222.31 g/mol
Exact Mass222.09
IUPAC Name4-ethenoxybutoxy-ethoxy-dihydroxysilane
SMILESC=COCCCCO[Si](O)(O)OCC
InChIInChI=1S/C8H18O5Si/c1-3-11-7-5-6-8-13-14(9,10)12-4-2/h3,9-10H,1,4-8H2,2H3
InChIKeyNHWJOYMRQQIFDL-UHFFFAOYSA-N
XLogP0.40
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

bis(4-ethenoxybutoxy)-ethoxy-hydroxysilane
CID 88505819
4-ethenoxybutan-1-ol;ethenoxyethane
CID 175259302
1,4-bis(ethenoxy)butane;butane
CID 158192522
ethoxy-dihydroxy-propoxysilane
CID 154100786
tert-butyl-(6-ethenoxyhexoxy)-dimethylsilane
CID 71372427
1,9-bis(ethenoxy)nonane
CID 21044784
1,16-bis(ethenoxy)hexadecane
CID 19877850
6-ethenoxyhexan-2-yloxy(trihydroxy)silane
CID 88505849
1-ethenoxytriacontane
CID 14647805
didodecoxy(dihydroxy)silane
CID 175350678
1-ethenoxybutane;hydrate
CID 174447139
14-ethenoxytetradecan-1-ol
CID 139931182

Frequently Asked Questions

What is the IUPAC name of 4-ethenoxybutoxy-ethoxy-dihydroxysilane?
The IUPAC name of 4-ethenoxybutoxy-ethoxy-dihydroxysilane (CID 154421328) is 4-ethenoxybutoxy-ethoxy-dihydroxysilane.
What is the SMILES notation for 4-ethenoxybutoxy-ethoxy-dihydroxysilane?
The canonical SMILES for 4-ethenoxybutoxy-ethoxy-dihydroxysilane is C=COCCCCO[Si](O)(O)OCC.
What is the InChIKey of 4-ethenoxybutoxy-ethoxy-dihydroxysilane?
The InChIKey is NHWJOYMRQQIFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5Si/c1-3-11-7-5-6-8-13-14(9,10)12-4-2/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 4-ethenoxybutoxy-ethoxy-dihydroxysilane?
4-ethenoxybutoxy-ethoxy-dihydroxysilane has a molecular weight of 222.31 g/mol, XLogP of 0.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxybutoxy-ethoxy-dihydroxysilane is sourced from PubChem (CID 154421328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).