trihydroxy(octadecyl)silane

C18H40O3Si — CID 22483723

IUPACtrihydroxy(octadecyl)silane
SMILESCCCCCCCCCCCCCCCCCC[Si](O)(O)O
InChIInChI=1S/C18H40O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h19-21H,2-18H2,1H3
InChIKeyDJMIIQXPYUKIMF-UHFFFAOYSA-N
MW332.60 g/mol
LogP5.16
Rot. Bonds17

About trihydroxy(octadecyl)silane

trihydroxy(octadecyl)silane (PubChem CID 22483723) has the molecular formula C18H40O3Si and a molecular weight of 332.60 g/mol. Its IUPAC name is trihydroxy(octadecyl)silane.

Molecular Properties

Compound Nametrihydroxy(octadecyl)silane
PubChem CID22483723
Molecular FormulaC18H40O3Si
Molecular Weight332.60 g/mol
Exact Mass332.27
IUPAC Nametrihydroxy(octadecyl)silane
SMILESCCCCCCCCCCCCCCCCCC[Si](O)(O)O
InChIInChI=1S/C18H40O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h19-21H,2-18H2,1H3
InChIKeyDJMIIQXPYUKIMF-UHFFFAOYSA-N
XLogP5.16
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.60
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trihydroxy(octadecyl)silane 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

Octadecyltrimethoxysilane
CID 76486
Cetyl trimethoxysilane
CID 85406
Caprylyl trisiloxane
CID 87373
Silane, dimethoxymethyloctadecyl-
CID 116906
Dodecyltrimethoxysilane
CID 76479
1,1,3,3-Tetramethyl-1,3-dioctyldisiloxane
CID 519593
Myristyl trisiloxane
CID 71356150
Dimethoxydioctylsilane
CID 22179160
3-Hexadecyl-1,1,1,3,5,5,5-heptamethyltrisiloxane
CID 71356149
Octadecyldimethylsilanol
CID 11198256
Stearyl trisiloxane
CID 18674845
Dodecylheptamethyltrisiloxane
CID 53436584

Frequently Asked Questions

What is the IUPAC name of trihydroxy(octadecyl)silane?
The IUPAC name of trihydroxy(octadecyl)silane (CID 22483723) is trihydroxy(octadecyl)silane.
What is the SMILES notation for trihydroxy(octadecyl)silane?
The canonical SMILES for trihydroxy(octadecyl)silane is CCCCCCCCCCCCCCCCCC[Si](O)(O)O.
What is the InChIKey of trihydroxy(octadecyl)silane?
The InChIKey is DJMIIQXPYUKIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h19-21H,2-18H2,1H3.
What are the key properties of trihydroxy(octadecyl)silane?
trihydroxy(octadecyl)silane has a molecular weight of 332.60 g/mol, XLogP of 5.16, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy(octadecyl)silane is sourced from PubChem (CID 22483723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).