5-trimethoxysilylpentanal

C8H18O4Si — CID 58609495

IUPAC5-trimethoxysilylpentanal
SMILESCO[Si](CCCCC=O)(OC)OC
InChIInChI=1S/C8H18O4Si/c1-10-13(11-2,12-3)8-6-4-5-7-9/h7H,4-6,8H2,1-3H3
InChIKeyHSRZJVZALIYVCK-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.23
Rot. Bonds8

About 5-trimethoxysilylpentanal

5-trimethoxysilylpentanal (PubChem CID 58609495) has the molecular formula C8H18O4Si and a molecular weight of 206.31 g/mol. Its IUPAC name is 5-trimethoxysilylpentanal.

Molecular Properties

Compound Name5-trimethoxysilylpentanal
PubChem CID58609495
Molecular FormulaC8H18O4Si
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name5-trimethoxysilylpentanal
SMILESCO[Si](CCCCC=O)(OC)OC
InChIInChI=1S/C8H18O4Si/c1-10-13(11-2,12-3)8-6-4-5-7-9/h7H,4-6,8H2,1-3H3
InChIKeyHSRZJVZALIYVCK-UHFFFAOYSA-N
XLogP1.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.23
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 5-trimethoxysilylpentanal?
The IUPAC name of 5-trimethoxysilylpentanal (CID 58609495) is 5-trimethoxysilylpentanal.
What is the SMILES notation for 5-trimethoxysilylpentanal?
The canonical SMILES for 5-trimethoxysilylpentanal is CO[Si](CCCCC=O)(OC)OC.
What is the InChIKey of 5-trimethoxysilylpentanal?
The InChIKey is HSRZJVZALIYVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4Si/c1-10-13(11-2,12-3)8-6-4-5-7-9/h7H,4-6,8H2,1-3H3.
What are the key properties of 5-trimethoxysilylpentanal?
5-trimethoxysilylpentanal has a molecular weight of 206.31 g/mol, XLogP of 1.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trimethoxysilylpentanal is sourced from PubChem (CID 58609495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).