hexyl(trihydroxy)silane

C6H16O3Si — CID 12930396

IUPAChexyl(trihydroxy)silane
SMILESCCCCCC[Si](O)(O)O
InChIInChI=1S/C6H16O3Si/c1-2-3-4-5-6-10(7,8)9/h7-9H,2-6H2,1H3
InChIKeyXRUCSASFGDRTJG-UHFFFAOYSA-N
MW164.28 g/mol
LogP0.48
Rot. Bonds5

About hexyl(trihydroxy)silane

hexyl(trihydroxy)silane (PubChem CID 12930396) has the molecular formula C6H16O3Si and a molecular weight of 164.28 g/mol. Its IUPAC name is hexyl(trihydroxy)silane.

Molecular Properties

Compound Namehexyl(trihydroxy)silane
PubChem CID12930396
Molecular FormulaC6H16O3Si
Molecular Weight164.28 g/mol
Exact Mass164.09
IUPAC Namehexyl(trihydroxy)silane
SMILESCCCCCC[Si](O)(O)O
InChIInChI=1S/C6H16O3Si/c1-2-3-4-5-6-10(7,8)9/h7-9H,2-6H2,1H3
InChIKeyXRUCSASFGDRTJG-UHFFFAOYSA-N
XLogP0.48
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.28
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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CID 21933357
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CID 54103071
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CID 88324519
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CID 19913514
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CID 21611724
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Frequently Asked Questions

What is the IUPAC name of hexyl(trihydroxy)silane?
The IUPAC name of hexyl(trihydroxy)silane (CID 12930396) is hexyl(trihydroxy)silane.
What is the SMILES notation for hexyl(trihydroxy)silane?
The canonical SMILES for hexyl(trihydroxy)silane is CCCCCC[Si](O)(O)O.
What is the InChIKey of hexyl(trihydroxy)silane?
The InChIKey is XRUCSASFGDRTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3Si/c1-2-3-4-5-6-10(7,8)9/h7-9H,2-6H2,1H3.
What are the key properties of hexyl(trihydroxy)silane?
hexyl(trihydroxy)silane has a molecular weight of 164.28 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl(trihydroxy)silane is sourced from PubChem (CID 12930396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).