(4-chloro-3-methylphenoxy)-diethyl-pentoxysilane

C16H27ClO2Si — CID 91740979

IUPAC(4-chloro-3-methylphenoxy)-diethyl-pentoxysilane
SMILESCCCCCO[Si](CC)(CC)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C16H27ClO2Si/c1-5-8-9-12-18-20(6-2,7-3)19-15-10-11-16(17)14(4)13-15/h10-11,13H,5-9,12H2,1-4H3
InChIKeyLCLDAQQUEBQGJI-UHFFFAOYSA-N
MW314.93 g/mol
LogP5.72
Rot. Bonds9

About (4-chloro-3-methylphenoxy)-diethyl-pentoxysilane

(4-chloro-3-methylphenoxy)-diethyl-pentoxysilane (PubChem CID 91740979) has the molecular formula C16H27ClO2Si and a molecular weight of 314.93 g/mol. Its IUPAC name is (4-chloro-3-methylphenoxy)-diethyl-pentoxysilane.

Molecular Properties

Compound Name(4-chloro-3-methylphenoxy)-diethyl-pentoxysilane
PubChem CID91740979
Molecular FormulaC16H27ClO2Si
Molecular Weight314.93 g/mol
Exact Mass314.15
IUPAC Name(4-chloro-3-methylphenoxy)-diethyl-pentoxysilane
SMILESCCCCCO[Si](CC)(CC)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C16H27ClO2Si/c1-5-8-9-12-18-20(6-2,7-3)19-15-10-11-16(17)14(4)13-15/h10-11,13H,5-9,12H2,1-4H3
InChIKeyLCLDAQQUEBQGJI-UHFFFAOYSA-N
XLogP5.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.93
LogP ≤ 55.72
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'}

Analyze (4-chloro-3-methylphenoxy)-diethyl-pentoxysilane 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

butoxy-(4-chlorophenoxy)-diethylsilane
CID 91733158
dodecoxy-diethyl-(4-methoxyphenoxy)silane
CID 91744611
diethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane
CID 91745722
diethyl-(3-nitrophenoxy)-undecoxysilane
CID 91743973
(4-chloro-3-methylphenoxy)-trimethylsilane
CID 13432543
1-chloro-4-(5-chloropentoxy)-2-methylbenzene
CID 43168547
6-O-(4-chloro-3-methylphenyl) 1-O-pentyl hexanedioate
CID 91713910
7-O-(4-chloro-3-methylphenyl) 1-O-undecyl heptanedioate
CID 91717787
7-O-(4-chloro-3-methylphenyl) 1-O-pentyl heptanedioate
CID 91717765
5-O-(4-chloro-3-methylphenyl) 1-O-hexadecyl pentanedioate
CID 91707988
diethyl-hexoxy-undecoxysilane
CID 91742902
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenoxy)-diethyl-pentoxysilane?
The IUPAC name of (4-chloro-3-methylphenoxy)-diethyl-pentoxysilane (CID 91740979) is (4-chloro-3-methylphenoxy)-diethyl-pentoxysilane.
What is the SMILES notation for (4-chloro-3-methylphenoxy)-diethyl-pentoxysilane?
The canonical SMILES for (4-chloro-3-methylphenoxy)-diethyl-pentoxysilane is CCCCCO[Si](CC)(CC)Oc1ccc(Cl)c(C)c1.
What is the InChIKey of (4-chloro-3-methylphenoxy)-diethyl-pentoxysilane?
The InChIKey is LCLDAQQUEBQGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClO2Si/c1-5-8-9-12-18-20(6-2,7-3)19-15-10-11-16(17)14(4)13-15/h10-11,13H,5-9,12H2,1-4H3.
What are the key properties of (4-chloro-3-methylphenoxy)-diethyl-pentoxysilane?
(4-chloro-3-methylphenoxy)-diethyl-pentoxysilane has a molecular weight of 314.93 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenoxy)-diethyl-pentoxysilane is sourced from PubChem (CID 91740979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).