4-trimethoxysilylbutan-2-ol

C7H18O4Si — CID 19880936

IUPAC4-trimethoxysilylbutan-2-ol
SMILESCO[Si](CCC(C)O)(OC)OC
InChIInChI=1S/C7H18O4Si/c1-7(8)5-6-12(9-2,10-3)11-4/h7-8H,5-6H2,1-4H3
InChIKeyDIVXOUDDNFGIQQ-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.64
Rot. Bonds6

About 4-trimethoxysilylbutan-2-ol

4-trimethoxysilylbutan-2-ol (PubChem CID 19880936) has the molecular formula C7H18O4Si and a molecular weight of 194.30 g/mol. Its IUPAC name is 4-trimethoxysilylbutan-2-ol.

Molecular Properties

Compound Name4-trimethoxysilylbutan-2-ol
PubChem CID19880936
Molecular FormulaC7H18O4Si
Molecular Weight194.30 g/mol
Exact Mass194.10
IUPAC Name4-trimethoxysilylbutan-2-ol
SMILESCO[Si](CCC(C)O)(OC)OC
InChIInChI=1S/C7H18O4Si/c1-7(8)5-6-12(9-2,10-3)11-4/h7-8H,5-6H2,1-4H3
InChIKeyDIVXOUDDNFGIQQ-UHFFFAOYSA-N
XLogP0.64
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.64
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 4-trimethoxysilylbutan-2-ol?
The IUPAC name of 4-trimethoxysilylbutan-2-ol (CID 19880936) is 4-trimethoxysilylbutan-2-ol.
What is the SMILES notation for 4-trimethoxysilylbutan-2-ol?
The canonical SMILES for 4-trimethoxysilylbutan-2-ol is CO[Si](CCC(C)O)(OC)OC.
What is the InChIKey of 4-trimethoxysilylbutan-2-ol?
The InChIKey is DIVXOUDDNFGIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O4Si/c1-7(8)5-6-12(9-2,10-3)11-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-trimethoxysilylbutan-2-ol?
4-trimethoxysilylbutan-2-ol has a molecular weight of 194.30 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethoxysilylbutan-2-ol is sourced from PubChem (CID 19880936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).