butoxy-methoxy-oxosilane

C5H12O3Si — CID 88714148

IUPACbutoxy-methoxy-oxosilane
SMILESCCCCO[Si](=O)OC
InChIInChI=1S/C5H12O3Si/c1-3-4-5-8-9(6)7-2/h3-5H2,1-2H3
InChIKeyVMYHOKYDSRUJIR-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.86
Rot. Bonds5

About butoxy-methoxy-oxosilane

butoxy-methoxy-oxosilane (PubChem CID 88714148) has the molecular formula C5H12O3Si and a molecular weight of 148.23 g/mol. Its IUPAC name is butoxy-methoxy-oxosilane.

Molecular Properties

Compound Namebutoxy-methoxy-oxosilane
PubChem CID88714148
Molecular FormulaC5H12O3Si
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Namebutoxy-methoxy-oxosilane
SMILESCCCCO[Si](=O)OC
InChIInChI=1S/C5H12O3Si/c1-3-4-5-8-9(6)7-2/h3-5H2,1-2H3
InChIKeyVMYHOKYDSRUJIR-UHFFFAOYSA-N
XLogP0.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.86
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of butoxy-methoxy-oxosilane?
The IUPAC name of butoxy-methoxy-oxosilane (CID 88714148) is butoxy-methoxy-oxosilane.
What is the SMILES notation for butoxy-methoxy-oxosilane?
The canonical SMILES for butoxy-methoxy-oxosilane is CCCCO[Si](=O)OC.
What is the InChIKey of butoxy-methoxy-oxosilane?
The InChIKey is VMYHOKYDSRUJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3Si/c1-3-4-5-8-9(6)7-2/h3-5H2,1-2H3.
What are the key properties of butoxy-methoxy-oxosilane?
butoxy-methoxy-oxosilane has a molecular weight of 148.23 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-methoxy-oxosilane is sourced from PubChem (CID 88714148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).