dichloromethyl-(6-ethyloctan-3-yloxy)-dimethylsilane

C13H28Cl2OSi — CID 554418

IUPACdichloromethyl-(6-ethyloctan-3-yloxy)-dimethylsilane
SMILESCCC(CC)CCC(CC)O[Si](C)(C)C(Cl)Cl
InChIInChI=1S/C13H28Cl2OSi/c1-6-11(7-2)9-10-12(8-3)16-17(4,5)13(14)15/h11-13H,6-10H2,1-5H3
InChIKeyDOHFIQIROHVBMR-UHFFFAOYSA-N
MW299.36 g/mol
LogP5.55
Rot. Bonds9

About dichloromethyl-(6-ethyloctan-3-yloxy)-dimethylsilane

dichloromethyl-(6-ethyloctan-3-yloxy)-dimethylsilane (PubChem CID 554418) has the molecular formula C13H28Cl2OSi and a molecular weight of 299.36 g/mol. Its IUPAC name is dichloromethyl-(6-ethyloctan-3-yloxy)-dimethylsilane.

Molecular Properties

Compound Namedichloromethyl-(6-ethyloctan-3-yloxy)-dimethylsilane
PubChem CID554418
Molecular FormulaC13H28Cl2OSi
Molecular Weight299.36 g/mol
Exact Mass298.13
IUPAC Namedichloromethyl-(6-ethyloctan-3-yloxy)-dimethylsilane
SMILESCCC(CC)CCC(CC)O[Si](C)(C)C(Cl)Cl
InChIInChI=1S/C13H28Cl2OSi/c1-6-11(7-2)9-10-12(8-3)16-17(4,5)13(14)15/h11-13H,6-10H2,1-5H3
InChIKeyDOHFIQIROHVBMR-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.36
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

6-ethyldecan-3-yloxy-dimethyl-propan-2-ylsilane
CID 554271
dichloromethyl-dimethyl-tridecan-6-yloxysilane
CID 554263
3,6-diethyloctane
CID 526424
dichloromethyl-dimethyl-propoxysilane
CID 554638
6-ethyloctan-3-yl 5-chloropentanoate
CID 544314
3-ethylpentyl-dimethoxy-methylsilane
CID 159693424
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-1-ol
CID 10900101
tert-butyl-[(3R)-1-iodopentan-3-yl]oxy-dimethylsilane
CID 15939181
3,7-diethylnonane
CID 22089120
3,6-di(propan-2-yloxy)octane
CID 175258426
3-ethylpentyl-(3-ethylpentyl-methoxy-methylsilyl)oxy-methoxy-methylsilane
CID 159693426
bis(6-ethyloctan-3-yl) benzene-1,2-dicarboxylate
CID 6424146

Frequently Asked Questions

What is the IUPAC name of dichloromethyl-(6-ethyloctan-3-yloxy)-dimethylsilane?
The IUPAC name of dichloromethyl-(6-ethyloctan-3-yloxy)-dimethylsilane (CID 554418) is dichloromethyl-(6-ethyloctan-3-yloxy)-dimethylsilane.
What is the SMILES notation for dichloromethyl-(6-ethyloctan-3-yloxy)-dimethylsilane?
The canonical SMILES for dichloromethyl-(6-ethyloctan-3-yloxy)-dimethylsilane is CCC(CC)CCC(CC)O[Si](C)(C)C(Cl)Cl.
What is the InChIKey of dichloromethyl-(6-ethyloctan-3-yloxy)-dimethylsilane?
The InChIKey is DOHFIQIROHVBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28Cl2OSi/c1-6-11(7-2)9-10-12(8-3)16-17(4,5)13(14)15/h11-13H,6-10H2,1-5H3.
What are the key properties of dichloromethyl-(6-ethyloctan-3-yloxy)-dimethylsilane?
dichloromethyl-(6-ethyloctan-3-yloxy)-dimethylsilane has a molecular weight of 299.36 g/mol, XLogP of 5.55, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethyl-(6-ethyloctan-3-yloxy)-dimethylsilane is sourced from PubChem (CID 554418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).