(3,4-dichloro-2,5-dimethylhexyl)-triethoxysilane

C14H30Cl2O3Si — CID 91420779

IUPAC(3,4-dichloro-2,5-dimethylhexyl)-triethoxysilane
SMILESCCO[Si](CC(C)C(Cl)C(Cl)C(C)C)(OCC)OCC
InChIInChI=1S/C14H30Cl2O3Si/c1-7-17-20(18-8-2,19-9-3)10-12(6)14(16)13(15)11(4)5/h11-14H,7-10H2,1-6H3
InChIKeyVTSYXHSMFGKUTK-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.54
Rot. Bonds11

About (3,4-dichloro-2,5-dimethylhexyl)-triethoxysilane

(3,4-dichloro-2,5-dimethylhexyl)-triethoxysilane (PubChem CID 91420779) has the molecular formula C14H30Cl2O3Si and a molecular weight of 345.38 g/mol. Its IUPAC name is (3,4-dichloro-2,5-dimethylhexyl)-triethoxysilane.

Molecular Properties

Compound Name(3,4-dichloro-2,5-dimethylhexyl)-triethoxysilane
PubChem CID91420779
Molecular FormulaC14H30Cl2O3Si
Molecular Weight345.38 g/mol
Exact Mass344.13
IUPAC Name(3,4-dichloro-2,5-dimethylhexyl)-triethoxysilane
SMILESCCO[Si](CC(C)C(Cl)C(Cl)C(C)C)(OCC)OCC
InChIInChI=1S/C14H30Cl2O3Si/c1-7-17-20(18-8-2,19-9-3)10-12(6)14(16)13(15)11(4)5/h11-14H,7-10H2,1-6H3
InChIKeyVTSYXHSMFGKUTK-UHFFFAOYSA-N
XLogP4.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-triethoxysilylpropan-2-amine
CID 10236113
triethoxy-(3-ethyl-2-methylpentyl)silane
CID 18696416
2-bromoethyl-(1-chloroethoxy)-diethoxysilane
CID 141486550
diethoxy-ethyl-propan-2-yloxysilane
CID 18331965
1-chloroethyl-diethoxy-ethylsilane
CID 54412794
3-triethoxysilylpropane-1,2-diol
CID 87668140
1-ethoxy-2-triethoxysilylethanol
CID 87970576
1-[diethoxy(ethyl)silyl]oxyethylphosphane
CID 157287140
chloro-ethoxy-bis(2-methylpropyl)silane
CID 88926142
triethoxy-[2-methyl-3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
CID 90171139
diethoxy-(2-methylpropyl)-(triethoxysilylmethyl)silane;hydroiodide
CID 175862990
2-[diethoxy(2-methylpropyl)silyl]oxy-N-ethylethanamine
CID 150177866

Frequently Asked Questions

What is the IUPAC name of (3,4-dichloro-2,5-dimethylhexyl)-triethoxysilane?
The IUPAC name of (3,4-dichloro-2,5-dimethylhexyl)-triethoxysilane (CID 91420779) is (3,4-dichloro-2,5-dimethylhexyl)-triethoxysilane.
What is the SMILES notation for (3,4-dichloro-2,5-dimethylhexyl)-triethoxysilane?
The canonical SMILES for (3,4-dichloro-2,5-dimethylhexyl)-triethoxysilane is CCO[Si](CC(C)C(Cl)C(Cl)C(C)C)(OCC)OCC.
What is the InChIKey of (3,4-dichloro-2,5-dimethylhexyl)-triethoxysilane?
The InChIKey is VTSYXHSMFGKUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30Cl2O3Si/c1-7-17-20(18-8-2,19-9-3)10-12(6)14(16)13(15)11(4)5/h11-14H,7-10H2,1-6H3.
What are the key properties of (3,4-dichloro-2,5-dimethylhexyl)-triethoxysilane?
(3,4-dichloro-2,5-dimethylhexyl)-triethoxysilane has a molecular weight of 345.38 g/mol, XLogP of 4.54, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichloro-2,5-dimethylhexyl)-triethoxysilane is sourced from PubChem (CID 91420779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).