butoxy-(4-chlorophenoxy)-diethylsilane

C14H23ClO2Si — CID 91733158

IUPACbutoxy-(4-chlorophenoxy)-diethylsilane
SMILESCCCCO[Si](CC)(CC)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClO2Si/c1-4-7-12-16-18(5-2,6-3)17-14-10-8-13(15)9-11-14/h8-11H,4-7,12H2,1-3H3
InChIKeyMRIOMMVSZUEHQC-UHFFFAOYSA-N
MW286.88 g/mol
LogP5.02
Rot. Bonds8

About butoxy-(4-chlorophenoxy)-diethylsilane

butoxy-(4-chlorophenoxy)-diethylsilane (PubChem CID 91733158) has the molecular formula C14H23ClO2Si and a molecular weight of 286.88 g/mol. Its IUPAC name is butoxy-(4-chlorophenoxy)-diethylsilane.

Molecular Properties

Compound Namebutoxy-(4-chlorophenoxy)-diethylsilane
PubChem CID91733158
Molecular FormulaC14H23ClO2Si
Molecular Weight286.88 g/mol
Exact Mass286.12
IUPAC Namebutoxy-(4-chlorophenoxy)-diethylsilane
SMILESCCCCO[Si](CC)(CC)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClO2Si/c1-4-7-12-16-18(5-2,6-3)17-14-10-8-13(15)9-11-14/h8-11H,4-7,12H2,1-3H3
InChIKeyMRIOMMVSZUEHQC-UHFFFAOYSA-N
XLogP5.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.88
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

bis(4-chlorophenoxy)-diethylsilane
CID 91742030
dodecoxy-diethyl-(4-methoxyphenoxy)silane
CID 91744611
(4-chloro-3-methylphenoxy)-diethyl-pentoxysilane
CID 91740979
(4-chlorophenoxy)-trihexylsilane
CID 532625
diethyl-nonoxy-(2,3,6-trichlorophenoxy)silane
CID 91744665
diethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane
CID 91745722
dibutoxy-ethyl-propylsilane
CID 22556349
butoxy-(3-chlorophenoxy)-dimethylsilane
CID 91730116
diethyl-(3-nitrophenoxy)-undecoxysilane
CID 91743973
ethoxy-diethyl-phenoxysilane
CID 15146062
decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757

Frequently Asked Questions

What is the IUPAC name of butoxy-(4-chlorophenoxy)-diethylsilane?
The IUPAC name of butoxy-(4-chlorophenoxy)-diethylsilane (CID 91733158) is butoxy-(4-chlorophenoxy)-diethylsilane.
What is the SMILES notation for butoxy-(4-chlorophenoxy)-diethylsilane?
The canonical SMILES for butoxy-(4-chlorophenoxy)-diethylsilane is CCCCO[Si](CC)(CC)Oc1ccc(Cl)cc1.
What is the InChIKey of butoxy-(4-chlorophenoxy)-diethylsilane?
The InChIKey is MRIOMMVSZUEHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClO2Si/c1-4-7-12-16-18(5-2,6-3)17-14-10-8-13(15)9-11-14/h8-11H,4-7,12H2,1-3H3.
What are the key properties of butoxy-(4-chlorophenoxy)-diethylsilane?
butoxy-(4-chlorophenoxy)-diethylsilane has a molecular weight of 286.88 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-(4-chlorophenoxy)-diethylsilane is sourced from PubChem (CID 91733158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).