(4-chlorophenoxy)-trihexylsilane

C24H43ClOSi — CID 532625

IUPAC(4-chlorophenoxy)-trihexylsilane
SMILESCCCCCC[Si](CCCCCC)(CCCCCC)Oc1ccc(Cl)cc1
InChIInChI=1S/C24H43ClOSi/c1-4-7-10-13-20-27(21-14-11-8-5-2,22-15-12-9-6-3)26-24-18-16-23(25)17-19-24/h16-19H,4-15,20-22H2,1-3H3
InChIKeyXAILZCWIXXMUDY-UHFFFAOYSA-N
MW411.15 g/mol
LogP9.41
Rot. Bonds17

About (4-chlorophenoxy)-trihexylsilane

(4-chlorophenoxy)-trihexylsilane (PubChem CID 532625) has the molecular formula C24H43ClOSi and a molecular weight of 411.15 g/mol. Its IUPAC name is (4-chlorophenoxy)-trihexylsilane.

Molecular Properties

Compound Name(4-chlorophenoxy)-trihexylsilane
PubChem CID532625
Molecular FormulaC24H43ClOSi
Molecular Weight411.15 g/mol
Exact Mass410.28
IUPAC Name(4-chlorophenoxy)-trihexylsilane
SMILESCCCCCC[Si](CCCCCC)(CCCCCC)Oc1ccc(Cl)cc1
InChIInChI=1S/C24H43ClOSi/c1-4-7-10-13-20-27(21-14-11-8-5-2,22-15-12-9-6-3)26-24-18-16-23(25)17-19-24/h16-19H,4-15,20-22H2,1-3H3
InChIKeyXAILZCWIXXMUDY-UHFFFAOYSA-N
XLogP9.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.15
LogP ≤ 59.41
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'}

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Related Compounds

butoxy-(4-chlorophenoxy)-diethylsilane
CID 91733158
bis(4-chlorophenoxy)-diethylsilane
CID 91742030
4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane
CID 66773415
(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
CID 102454986
diiodo-octyl-phenoxysilane
CID 140744994
(4-butoxyphenyl)-dichloro-hexylsilane
CID 139899604
bromo-ethoxy-hexyl-phenoxysilane
CID 140745144
trihexyl-(2-propan-2-yloxyphenoxy)silane
CID 530902
trihexadecyl(propoxy)silane
CID 172579393
dichloro-(4-ethoxyphenyl)-hexylsilane
CID 139899605
N-[2-(4-chlorophenoxy)propyl]heptan-1-amine
CID 54797550
2-O-(4-chlorophenyl) 1-O-heptadecyl oxalate
CID 6422740

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenoxy)-trihexylsilane?
The IUPAC name of (4-chlorophenoxy)-trihexylsilane (CID 532625) is (4-chlorophenoxy)-trihexylsilane.
What is the SMILES notation for (4-chlorophenoxy)-trihexylsilane?
The canonical SMILES for (4-chlorophenoxy)-trihexylsilane is CCCCCC[Si](CCCCCC)(CCCCCC)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenoxy)-trihexylsilane?
The InChIKey is XAILZCWIXXMUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43ClOSi/c1-4-7-10-13-20-27(21-14-11-8-5-2,22-15-12-9-6-3)26-24-18-16-23(25)17-19-24/h16-19H,4-15,20-22H2,1-3H3.
What are the key properties of (4-chlorophenoxy)-trihexylsilane?
(4-chlorophenoxy)-trihexylsilane has a molecular weight of 411.15 g/mol, XLogP of 9.41, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenoxy)-trihexylsilane is sourced from PubChem (CID 532625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).