5-trimethoxysilylpentanoic acid

C8H18O5Si — CID 22385438

IUPAC5-trimethoxysilylpentanoic acid
SMILESCO[Si](CCCCC(=O)O)(OC)OC
InChIInChI=1S/C8H18O5Si/c1-11-14(12-2,13-3)7-5-4-6-8(9)10/h4-7H2,1-3H3,(H,9,10)
InChIKeyILPRREAKZMPDSD-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.12
Rot. Bonds8

About 5-trimethoxysilylpentanoic acid

5-trimethoxysilylpentanoic acid (PubChem CID 22385438) has the molecular formula C8H18O5Si and a molecular weight of 222.31 g/mol. Its IUPAC name is 5-trimethoxysilylpentanoic acid.

Molecular Properties

Compound Name5-trimethoxysilylpentanoic acid
PubChem CID22385438
Molecular FormulaC8H18O5Si
Molecular Weight222.31 g/mol
Exact Mass222.09
IUPAC Name5-trimethoxysilylpentanoic acid
SMILESCO[Si](CCCCC(=O)O)(OC)OC
InChIInChI=1S/C8H18O5Si/c1-11-14(12-2,13-3)7-5-4-6-8(9)10/h4-7H2,1-3H3,(H,9,10)
InChIKeyILPRREAKZMPDSD-UHFFFAOYSA-N
XLogP1.12
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-trimethoxysilylpentanoic acid?
The IUPAC name of 5-trimethoxysilylpentanoic acid (CID 22385438) is 5-trimethoxysilylpentanoic acid.
What is the SMILES notation for 5-trimethoxysilylpentanoic acid?
The canonical SMILES for 5-trimethoxysilylpentanoic acid is CO[Si](CCCCC(=O)O)(OC)OC.
What is the InChIKey of 5-trimethoxysilylpentanoic acid?
The InChIKey is ILPRREAKZMPDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5Si/c1-11-14(12-2,13-3)7-5-4-6-8(9)10/h4-7H2,1-3H3,(H,9,10).
What are the key properties of 5-trimethoxysilylpentanoic acid?
5-trimethoxysilylpentanoic acid has a molecular weight of 222.31 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trimethoxysilylpentanoic acid is sourced from PubChem (CID 22385438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).