diethyl-nonoxy-(2,3,6-trichlorophenoxy)silane

C19H31Cl3O2Si — CID 91744665

IUPACdiethyl-nonoxy-(2,3,6-trichlorophenoxy)silane
SMILESCCCCCCCCCO[Si](CC)(CC)Oc1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C19H31Cl3O2Si/c1-4-7-8-9-10-11-12-15-23-25(5-2,6-3)24-19-17(21)14-13-16(20)18(19)22/h13-14H,4-12,15H2,1-3H3
InChIKeyDXHKSNBWAFTMIJ-UHFFFAOYSA-N
MW425.90 g/mol
LogP8.27
Rot. Bonds13

About diethyl-nonoxy-(2,3,6-trichlorophenoxy)silane

diethyl-nonoxy-(2,3,6-trichlorophenoxy)silane (PubChem CID 91744665) has the molecular formula C19H31Cl3O2Si and a molecular weight of 425.90 g/mol. Its IUPAC name is diethyl-nonoxy-(2,3,6-trichlorophenoxy)silane.

Molecular Properties

Compound Namediethyl-nonoxy-(2,3,6-trichlorophenoxy)silane
PubChem CID91744665
Molecular FormulaC19H31Cl3O2Si
Molecular Weight425.90 g/mol
Exact Mass424.12
IUPAC Namediethyl-nonoxy-(2,3,6-trichlorophenoxy)silane
SMILESCCCCCCCCCO[Si](CC)(CC)Oc1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C19H31Cl3O2Si/c1-4-7-8-9-10-11-12-15-23-25(5-2,6-3)24-19-17(21)14-13-16(20)18(19)22/h13-14H,4-12,15H2,1-3H3
InChIKeyDXHKSNBWAFTMIJ-UHFFFAOYSA-N
XLogP8.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.90
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze diethyl-nonoxy-(2,3,6-trichlorophenoxy)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

diethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane
CID 91745722
(4-chloro-3-methylphenoxy)-diethyl-pentoxysilane
CID 91740979
(2,6-dimethoxyphenoxy)-diethyl-tetradecoxysilane
CID 91745109
dodecoxy-diethyl-(4-methoxyphenoxy)silane
CID 91744611
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
diethyl-hexoxy-undecoxysilane
CID 91742902
decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757
diethyl-pentoxy-undecoxysilane
CID 91742318
diethyl-nonoxy-pentoxysilane
CID 91741088
butoxy-(4-chlorophenoxy)-diethylsilane
CID 91733158

Frequently Asked Questions

What is the IUPAC name of diethyl-nonoxy-(2,3,6-trichlorophenoxy)silane?
The IUPAC name of diethyl-nonoxy-(2,3,6-trichlorophenoxy)silane (CID 91744665) is diethyl-nonoxy-(2,3,6-trichlorophenoxy)silane.
What is the SMILES notation for diethyl-nonoxy-(2,3,6-trichlorophenoxy)silane?
The canonical SMILES for diethyl-nonoxy-(2,3,6-trichlorophenoxy)silane is CCCCCCCCCO[Si](CC)(CC)Oc1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of diethyl-nonoxy-(2,3,6-trichlorophenoxy)silane?
The InChIKey is DXHKSNBWAFTMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31Cl3O2Si/c1-4-7-8-9-10-11-12-15-23-25(5-2,6-3)24-19-17(21)14-13-16(20)18(19)22/h13-14H,4-12,15H2,1-3H3.
What are the key properties of diethyl-nonoxy-(2,3,6-trichlorophenoxy)silane?
diethyl-nonoxy-(2,3,6-trichlorophenoxy)silane has a molecular weight of 425.90 g/mol, XLogP of 8.27, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-nonoxy-(2,3,6-trichlorophenoxy)silane is sourced from PubChem (CID 91744665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).