3-trimethoxysilylpropan-1-ol

C6H16O4Si — CID 22179169

IUPAC3-trimethoxysilylpropan-1-ol
SMILESCO[Si](CCCO)(OC)OC
InChIInChI=1S/C6H16O4Si/c1-8-11(9-2,10-3)6-4-5-7/h7H,4-6H2,1-3H3
InChIKeyYATIYDNBFHEOFA-UHFFFAOYSA-N
MW180.28 g/mol
LogP0.25
Rot. Bonds6

About 3-trimethoxysilylpropan-1-ol

3-trimethoxysilylpropan-1-ol (PubChem CID 22179169) has the molecular formula C6H16O4Si and a molecular weight of 180.28 g/mol. Its IUPAC name is 3-trimethoxysilylpropan-1-ol.

Molecular Properties

Compound Name3-trimethoxysilylpropan-1-ol
PubChem CID22179169
Molecular FormulaC6H16O4Si
Molecular Weight180.28 g/mol
Exact Mass180.08
IUPAC Name3-trimethoxysilylpropan-1-ol
SMILESCO[Si](CCCO)(OC)OC
InChIInChI=1S/C6H16O4Si/c1-8-11(9-2,10-3)6-4-5-7/h7H,4-6H2,1-3H3
InChIKeyYATIYDNBFHEOFA-UHFFFAOYSA-N
XLogP0.25
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropan-1-ol?
The IUPAC name of 3-trimethoxysilylpropan-1-ol (CID 22179169) is 3-trimethoxysilylpropan-1-ol.
What is the SMILES notation for 3-trimethoxysilylpropan-1-ol?
The canonical SMILES for 3-trimethoxysilylpropan-1-ol is CO[Si](CCCO)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropan-1-ol?
The InChIKey is YATIYDNBFHEOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O4Si/c1-8-11(9-2,10-3)6-4-5-7/h7H,4-6H2,1-3H3.
What are the key properties of 3-trimethoxysilylpropan-1-ol?
3-trimethoxysilylpropan-1-ol has a molecular weight of 180.28 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropan-1-ol is sourced from PubChem (CID 22179169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).