18-triethoxysilyloctadecanoic acid

C24H50O5Si — CID 87685990

IUPAC18-triethoxysilyloctadecanoic acid
SMILESCCO[Si](CCCCCCCCCCCCCCCCCC(=O)O)(OCC)OCC
InChIInChI=1S/C24H50O5Si/c1-4-27-30(28-5-2,29-6-3)23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24(25)26/h4-23H2,1-3H3,(H,25,26)
InChIKeyLJBXQQWYUBMIHS-UHFFFAOYSA-N
MW446.75 g/mol
LogP7.36
Rot. Bonds24

About 18-triethoxysilyloctadecanoic acid

18-triethoxysilyloctadecanoic acid (PubChem CID 87685990) has the molecular formula C24H50O5Si and a molecular weight of 446.75 g/mol. Its IUPAC name is 18-triethoxysilyloctadecanoic acid.

Molecular Properties

Compound Name18-triethoxysilyloctadecanoic acid
PubChem CID87685990
Molecular FormulaC24H50O5Si
Molecular Weight446.75 g/mol
Exact Mass446.34
IUPAC Name18-triethoxysilyloctadecanoic acid
SMILESCCO[Si](CCCCCCCCCCCCCCCCCC(=O)O)(OCC)OCC
InChIInChI=1S/C24H50O5Si/c1-4-27-30(28-5-2,29-6-3)23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24(25)26/h4-23H2,1-3H3,(H,25,26)
InChIKeyLJBXQQWYUBMIHS-UHFFFAOYSA-N
XLogP7.36
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.75
LogP ≤ 57.36
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'}

Analyze 18-triethoxysilyloctadecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

30-triethoxysilyltriacontanoic acid
CID 87687022
11-triethoxysilylundecanoic acid
CID 22725829
1,9-bis(triethoxysilyl)nonan-5-one
CID 158928265
8-triethoxysilyloctanethioic S-acid
CID 87672935
bis(carbamothioic S-acid);dodecanoic acid;triethoxy(propyl)silane
CID 174555694
6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid
CID 58205270
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
(Z)-octadec-9-enoic acid;3-triethoxysilylpropan-1-amine
CID 175228614
S-(5-triethoxysilylpentyl) icosanethioate
CID 175847845
dodecyl(triethoxy)silane;tridecane
CID 174970002
ethyl acetate;3-triethoxysilylpropanoic acid
CID 175314262
1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea
CID 58571374

Frequently Asked Questions

What is the IUPAC name of 18-triethoxysilyloctadecanoic acid?
The IUPAC name of 18-triethoxysilyloctadecanoic acid (CID 87685990) is 18-triethoxysilyloctadecanoic acid.
What is the SMILES notation for 18-triethoxysilyloctadecanoic acid?
The canonical SMILES for 18-triethoxysilyloctadecanoic acid is CCO[Si](CCCCCCCCCCCCCCCCCC(=O)O)(OCC)OCC.
What is the InChIKey of 18-triethoxysilyloctadecanoic acid?
The InChIKey is LJBXQQWYUBMIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O5Si/c1-4-27-30(28-5-2,29-6-3)23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24(25)26/h4-23H2,1-3H3,(H,25,26).
What are the key properties of 18-triethoxysilyloctadecanoic acid?
18-triethoxysilyloctadecanoic acid has a molecular weight of 446.75 g/mol, XLogP of 7.36, 24 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 18-triethoxysilyloctadecanoic acid is sourced from PubChem (CID 87685990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).