4-trimethoxysilylbutanal

C7H16O4Si — CID 10285853

IUPAC4-trimethoxysilylbutanal
SMILESCO[Si](CCCC=O)(OC)OC
InChIInChI=1S/C7H16O4Si/c1-9-12(10-2,11-3)7-5-4-6-8/h6H,4-5,7H2,1-3H3
InChIKeyLFBTVXFMAJQXJR-UHFFFAOYSA-N
MW192.29 g/mol
LogP0.84
Rot. Bonds7

About 4-trimethoxysilylbutanal

4-trimethoxysilylbutanal (PubChem CID 10285853) has the molecular formula C7H16O4Si and a molecular weight of 192.29 g/mol. Its IUPAC name is 4-trimethoxysilylbutanal.

Molecular Properties

Compound Name4-trimethoxysilylbutanal
PubChem CID10285853
Molecular FormulaC7H16O4Si
Molecular Weight192.29 g/mol
Exact Mass192.08
IUPAC Name4-trimethoxysilylbutanal
SMILESCO[Si](CCCC=O)(OC)OC
InChIInChI=1S/C7H16O4Si/c1-9-12(10-2,11-3)7-5-4-6-8/h6H,4-5,7H2,1-3H3
InChIKeyLFBTVXFMAJQXJR-UHFFFAOYSA-N
XLogP0.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 4-trimethoxysilylbutanal?
The IUPAC name of 4-trimethoxysilylbutanal (CID 10285853) is 4-trimethoxysilylbutanal.
What is the SMILES notation for 4-trimethoxysilylbutanal?
The canonical SMILES for 4-trimethoxysilylbutanal is CO[Si](CCCC=O)(OC)OC.
What is the InChIKey of 4-trimethoxysilylbutanal?
The InChIKey is LFBTVXFMAJQXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4Si/c1-9-12(10-2,11-3)7-5-4-6-8/h6H,4-5,7H2,1-3H3.
What are the key properties of 4-trimethoxysilylbutanal?
4-trimethoxysilylbutanal has a molecular weight of 192.29 g/mol, XLogP of 0.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethoxysilylbutanal is sourced from PubChem (CID 10285853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).