2-(3-triethoxysilylpropylsulfanyl)hexanoic acid

C15H32O5SSi — CID 88876856

IUPAC2-(3-triethoxysilylpropylsulfanyl)hexanoic acid
SMILESCCCCC(SCCC[Si](OCC)(OCC)OCC)C(=O)O
InChIInChI=1S/C15H32O5SSi/c1-5-9-11-14(15(16)17)21-12-10-13-22(18-6-2,19-7-3)20-8-4/h14H,5-13H2,1-4H3,(H,16,17)
InChIKeyUJWVPBXHLHISGS-UHFFFAOYSA-N
MW352.57 g/mol
LogP3.80
Rot. Bonds15

About 2-(3-triethoxysilylpropylsulfanyl)hexanoic acid

2-(3-triethoxysilylpropylsulfanyl)hexanoic acid (PubChem CID 88876856) has the molecular formula C15H32O5SSi and a molecular weight of 352.57 g/mol. Its IUPAC name is 2-(3-triethoxysilylpropylsulfanyl)hexanoic acid.

Molecular Properties

Compound Name2-(3-triethoxysilylpropylsulfanyl)hexanoic acid
PubChem CID88876856
Molecular FormulaC15H32O5SSi
Molecular Weight352.57 g/mol
Exact Mass352.17
IUPAC Name2-(3-triethoxysilylpropylsulfanyl)hexanoic acid
SMILESCCCCC(SCCC[Si](OCC)(OCC)OCC)C(=O)O
InChIInChI=1S/C15H32O5SSi/c1-5-9-11-14(15(16)17)21-12-10-13-22(18-6-2,19-7-3)20-8-4/h14H,5-13H2,1-4H3,(H,16,17)
InChIKeyUJWVPBXHLHISGS-UHFFFAOYSA-N
XLogP3.80
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(3-triethoxysilylpropylsulfanyl)hexanoic 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

2-dodecylsulfanylhexanoic acid
CID 89266983
2-hexadecylsulfanylhexanoic acid
CID 58722589
S-(3-triethoxysilylpropyl) pentanethioate
CID 86045286
diethyl 2-[phenyl(3-triethoxysilylpropylsulfanyl)methyl]propanedioate
CID 59305888
S-(3-triethoxysilylpropyl) tetradecanethioate
CID 22026178
2-(5,5,5-trifluoropentylsulfanyl)hexanoic acid
CID 87340578
2-(5,5,6,6,6-pentafluorohexylsulfanyl)hexanoic acid
CID 87340824
4-amino-2-propylsulfanylbutanoic acid
CID 64695267
triethoxy(3-undecylsulfanylpropyl)silane
CID 173288680
S-(3-triethoxysilylpropyl) 2-bromo-2-methylpropanethioate
CID 59620759
4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one
CID 87593623
S-[3-(3-triethoxysilylpropylsulfanyl)propyl] hexadecanethioate
CID 175710005

Frequently Asked Questions

What is the IUPAC name of 2-(3-triethoxysilylpropylsulfanyl)hexanoic acid?
The IUPAC name of 2-(3-triethoxysilylpropylsulfanyl)hexanoic acid (CID 88876856) is 2-(3-triethoxysilylpropylsulfanyl)hexanoic acid.
What is the SMILES notation for 2-(3-triethoxysilylpropylsulfanyl)hexanoic acid?
The canonical SMILES for 2-(3-triethoxysilylpropylsulfanyl)hexanoic acid is CCCCC(SCCC[Si](OCC)(OCC)OCC)C(=O)O.
What is the InChIKey of 2-(3-triethoxysilylpropylsulfanyl)hexanoic acid?
The InChIKey is UJWVPBXHLHISGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O5SSi/c1-5-9-11-14(15(16)17)21-12-10-13-22(18-6-2,19-7-3)20-8-4/h14H,5-13H2,1-4H3,(H,16,17).
What are the key properties of 2-(3-triethoxysilylpropylsulfanyl)hexanoic acid?
2-(3-triethoxysilylpropylsulfanyl)hexanoic acid has a molecular weight of 352.57 g/mol, XLogP of 3.80, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-triethoxysilylpropylsulfanyl)hexanoic acid is sourced from PubChem (CID 88876856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).