6-ethenoxyhexan-2-yloxy(trihydroxy)silane

C8H18O5Si — CID 88505849

IUPAC6-ethenoxyhexan-2-yloxy(trihydroxy)silane
SMILESC=COCCCCC(C)O[Si](O)(O)O
InChIInChI=1S/C8H18O5Si/c1-3-12-7-5-4-6-8(2)13-14(9,10)11/h3,8-11H,1,4-7H2,2H3
InChIKeyAEORFEIHJLHARG-UHFFFAOYSA-N
MW222.31 g/mol
LogP0.13
Rot. Bonds8

About 6-ethenoxyhexan-2-yloxy(trihydroxy)silane

6-ethenoxyhexan-2-yloxy(trihydroxy)silane (PubChem CID 88505849) has the molecular formula C8H18O5Si and a molecular weight of 222.31 g/mol. Its IUPAC name is 6-ethenoxyhexan-2-yloxy(trihydroxy)silane.

Molecular Properties

Compound Name6-ethenoxyhexan-2-yloxy(trihydroxy)silane
PubChem CID88505849
Molecular FormulaC8H18O5Si
Molecular Weight222.31 g/mol
Exact Mass222.09
IUPAC Name6-ethenoxyhexan-2-yloxy(trihydroxy)silane
SMILESC=COCCCCC(C)O[Si](O)(O)O
InChIInChI=1S/C8H18O5Si/c1-3-12-7-5-4-6-8(2)13-14(9,10)11/h3,8-11H,1,4-7H2,2H3
InChIKeyAEORFEIHJLHARG-UHFFFAOYSA-N
XLogP0.13
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 50.13
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 6-ethenoxyhexan-2-yloxy(trihydroxy)silane?
The IUPAC name of 6-ethenoxyhexan-2-yloxy(trihydroxy)silane (CID 88505849) is 6-ethenoxyhexan-2-yloxy(trihydroxy)silane.
What is the SMILES notation for 6-ethenoxyhexan-2-yloxy(trihydroxy)silane?
The canonical SMILES for 6-ethenoxyhexan-2-yloxy(trihydroxy)silane is C=COCCCCC(C)O[Si](O)(O)O.
What is the InChIKey of 6-ethenoxyhexan-2-yloxy(trihydroxy)silane?
The InChIKey is AEORFEIHJLHARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5Si/c1-3-12-7-5-4-6-8(2)13-14(9,10)11/h3,8-11H,1,4-7H2,2H3.
What are the key properties of 6-ethenoxyhexan-2-yloxy(trihydroxy)silane?
6-ethenoxyhexan-2-yloxy(trihydroxy)silane has a molecular weight of 222.31 g/mol, XLogP of 0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenoxyhexan-2-yloxy(trihydroxy)silane is sourced from PubChem (CID 88505849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).