1-trimethoxysilylpropan-1-ol

C6H16O4Si — CID 19938536

IUPAC1-trimethoxysilylpropan-1-ol
SMILESCCC(O)[Si](OC)(OC)OC
InChIInChI=1S/C6H16O4Si/c1-5-6(7)11(8-2,9-3)10-4/h6-7H,5H2,1-4H3
InChIKeyMTEZSDOQASFMDI-UHFFFAOYSA-N
MW180.28 g/mol
LogP0.17
Rot. Bonds5

About 1-trimethoxysilylpropan-1-ol

1-trimethoxysilylpropan-1-ol (PubChem CID 19938536) has the molecular formula C6H16O4Si and a molecular weight of 180.28 g/mol. Its IUPAC name is 1-trimethoxysilylpropan-1-ol.

Molecular Properties

Compound Name1-trimethoxysilylpropan-1-ol
PubChem CID19938536
Molecular FormulaC6H16O4Si
Molecular Weight180.28 g/mol
Exact Mass180.08
IUPAC Name1-trimethoxysilylpropan-1-ol
SMILESCCC(O)[Si](OC)(OC)OC
InChIInChI=1S/C6H16O4Si/c1-5-6(7)11(8-2,9-3)10-4/h6-7H,5H2,1-4H3
InChIKeyMTEZSDOQASFMDI-UHFFFAOYSA-N
XLogP0.17
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 50.17
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 1-trimethoxysilylpropan-1-ol?
The IUPAC name of 1-trimethoxysilylpropan-1-ol (CID 19938536) is 1-trimethoxysilylpropan-1-ol.
What is the SMILES notation for 1-trimethoxysilylpropan-1-ol?
The canonical SMILES for 1-trimethoxysilylpropan-1-ol is CCC(O)[Si](OC)(OC)OC.
What is the InChIKey of 1-trimethoxysilylpropan-1-ol?
The InChIKey is MTEZSDOQASFMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O4Si/c1-5-6(7)11(8-2,9-3)10-4/h6-7H,5H2,1-4H3.
What are the key properties of 1-trimethoxysilylpropan-1-ol?
1-trimethoxysilylpropan-1-ol has a molecular weight of 180.28 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethoxysilylpropan-1-ol is sourced from PubChem (CID 19938536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).