3-ethenoxyhexan-2-yloxy(trihydroxy)silane

C8H18O5Si — CID 88505848

IUPAC3-ethenoxyhexan-2-yloxy(trihydroxy)silane
SMILESC=COC(CCC)C(C)O[Si](O)(O)O
InChIInChI=1S/C8H18O5Si/c1-4-6-8(12-5-2)7(3)13-14(9,10)11/h5,7-11H,2,4,6H2,1,3H3
InChIKeyCOULEHUCNAKSBT-UHFFFAOYSA-N
MW222.31 g/mol
LogP0.13
Rot. Bonds7

About 3-ethenoxyhexan-2-yloxy(trihydroxy)silane

3-ethenoxyhexan-2-yloxy(trihydroxy)silane (PubChem CID 88505848) has the molecular formula C8H18O5Si and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-ethenoxyhexan-2-yloxy(trihydroxy)silane.

Molecular Properties

Compound Name3-ethenoxyhexan-2-yloxy(trihydroxy)silane
PubChem CID88505848
Molecular FormulaC8H18O5Si
Molecular Weight222.31 g/mol
Exact Mass222.09
IUPAC Name3-ethenoxyhexan-2-yloxy(trihydroxy)silane
SMILESC=COC(CCC)C(C)O[Si](O)(O)O
InChIInChI=1S/C8H18O5Si/c1-4-6-8(12-5-2)7(3)13-14(9,10)11/h5,7-11H,2,4,6H2,1,3H3
InChIKeyCOULEHUCNAKSBT-UHFFFAOYSA-N
XLogP0.13
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-ethenoxyheptane
CID 59883029
trihydroxy(1-trihydroxysilyloxybutoxy)silane
CID 141431700
6-ethenoxyhexan-2-yloxy(trihydroxy)silane
CID 88505849
5-ethenoxyoctan-1-ol
CID 87185132
2-ethenoxybutane
CID 13172912
(2S,3R)-2-methyl-3-triethylsilyloxyhexan-1-ol
CID 57278270
CID 5485152
CID 5485152
1,1-bis(ethenoxy)octadecane
CID 19822568
ethane;1-ethenoxyethanol
CID 143819454
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
6-ethenoxy-2-methyldodec-2-en-7-yne
CID 102386245
(E)-2-ethenoxyhept-3-ene
CID 102248112

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxyhexan-2-yloxy(trihydroxy)silane?
The IUPAC name of 3-ethenoxyhexan-2-yloxy(trihydroxy)silane (CID 88505848) is 3-ethenoxyhexan-2-yloxy(trihydroxy)silane.
What is the SMILES notation for 3-ethenoxyhexan-2-yloxy(trihydroxy)silane?
The canonical SMILES for 3-ethenoxyhexan-2-yloxy(trihydroxy)silane is C=COC(CCC)C(C)O[Si](O)(O)O.
What is the InChIKey of 3-ethenoxyhexan-2-yloxy(trihydroxy)silane?
The InChIKey is COULEHUCNAKSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5Si/c1-4-6-8(12-5-2)7(3)13-14(9,10)11/h5,7-11H,2,4,6H2,1,3H3.
What are the key properties of 3-ethenoxyhexan-2-yloxy(trihydroxy)silane?
3-ethenoxyhexan-2-yloxy(trihydroxy)silane has a molecular weight of 222.31 g/mol, XLogP of 0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxyhexan-2-yloxy(trihydroxy)silane is sourced from PubChem (CID 88505848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).