trichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane

C25H41Cl3OSi — CID 57282253

IUPACtrichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane
SMILESCCCCCCCCCCC1CCC(c2ccc(OCCC[Si](Cl)(Cl)Cl)cc2)CC1
InChIInChI=1S/C25H41Cl3OSi/c1-2-3-4-5-6-7-8-9-11-22-12-14-23(15-13-22)24-16-18-25(19-17-24)29-20-10-21-30(26,27)28/h16-19,22-23H,2-15,20-21H2,1H3
InChIKeyFNTZQIGTSVTHEH-UHFFFAOYSA-N
MW492.05 g/mol
LogP9.92
Rot. Bonds15

About trichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane

trichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane (PubChem CID 57282253) has the molecular formula C25H41Cl3OSi and a molecular weight of 492.05 g/mol. Its IUPAC name is trichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane.

Molecular Properties

Compound Nametrichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane
PubChem CID57282253
Molecular FormulaC25H41Cl3OSi
Molecular Weight492.05 g/mol
Exact Mass490.20
IUPAC Nametrichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane
SMILESCCCCCCCCCCC1CCC(c2ccc(OCCC[Si](Cl)(Cl)Cl)cc2)CC1
InChIInChI=1S/C25H41Cl3OSi/c1-2-3-4-5-6-7-8-9-11-22-12-14-23(15-13-22)24-16-18-25(19-17-24)29-20-10-21-30(26,27)28/h16-19,22-23H,2-15,20-21H2,1H3
InChIKeyFNTZQIGTSVTHEH-UHFFFAOYSA-N
XLogP9.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.05
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]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

1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
tribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane
CID 57086062
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136
1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene
CID 59265311
9-[4-(4-pentylcyclohexyl)phenoxy]nonane-1-thiol
CID 102302760
triisothiocyanato-[3-[4-(4-nonylcyclohexyl)phenoxy]propyl]silane
CID 57018835

Frequently Asked Questions

What is the IUPAC name of trichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane?
The IUPAC name of trichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane (CID 57282253) is trichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane.
What is the SMILES notation for trichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane?
The canonical SMILES for trichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane is CCCCCCCCCCC1CCC(c2ccc(OCCC[Si](Cl)(Cl)Cl)cc2)CC1.
What is the InChIKey of trichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane?
The InChIKey is FNTZQIGTSVTHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41Cl3OSi/c1-2-3-4-5-6-7-8-9-11-22-12-14-23(15-13-22)24-16-18-25(19-17-24)29-20-10-21-30(26,27)28/h16-19,22-23H,2-15,20-21H2,1H3.
What are the key properties of trichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane?
trichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane has a molecular weight of 492.05 g/mol, XLogP of 9.92, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane is sourced from PubChem (CID 57282253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).