2-trimethoxysilylbutanal

C7H16O4Si — CID 87390606

IUPAC2-trimethoxysilylbutanal
SMILESCCC(C=O)[Si](OC)(OC)OC
InChIInChI=1S/C7H16O4Si/c1-5-7(6-8)12(9-2,10-3)11-4/h6-7H,5H2,1-4H3
InChIKeyKQGICMDUUUQYQZ-UHFFFAOYSA-N
MW192.29 g/mol
LogP0.84
Rot. Bonds6

About 2-trimethoxysilylbutanal

2-trimethoxysilylbutanal (PubChem CID 87390606) has the molecular formula C7H16O4Si and a molecular weight of 192.29 g/mol. Its IUPAC name is 2-trimethoxysilylbutanal.

Molecular Properties

Compound Name2-trimethoxysilylbutanal
PubChem CID87390606
Molecular FormulaC7H16O4Si
Molecular Weight192.29 g/mol
Exact Mass192.08
IUPAC Name2-trimethoxysilylbutanal
SMILESCCC(C=O)[Si](OC)(OC)OC
InChIInChI=1S/C7H16O4Si/c1-5-7(6-8)12(9-2,10-3)11-4/h6-7H,5H2,1-4H3
InChIKeyKQGICMDUUUQYQZ-UHFFFAOYSA-N
XLogP0.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-trimethoxysilylbutanal?
The IUPAC name of 2-trimethoxysilylbutanal (CID 87390606) is 2-trimethoxysilylbutanal.
What is the SMILES notation for 2-trimethoxysilylbutanal?
The canonical SMILES for 2-trimethoxysilylbutanal is CCC(C=O)[Si](OC)(OC)OC.
What is the InChIKey of 2-trimethoxysilylbutanal?
The InChIKey is KQGICMDUUUQYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4Si/c1-5-7(6-8)12(9-2,10-3)11-4/h6-7H,5H2,1-4H3.
What are the key properties of 2-trimethoxysilylbutanal?
2-trimethoxysilylbutanal has a molecular weight of 192.29 g/mol, XLogP of 0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethoxysilylbutanal is sourced from PubChem (CID 87390606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).