chloro-[11-(3-ethoxypropoxy)undecyl]-dimethylsilane

C18H39ClO2Si — CID 142718612

IUPACchloro-[11-(3-ethoxypropoxy)undecyl]-dimethylsilane
SMILESCCOCCCOCCCCCCCCCCC[Si](C)(C)Cl
InChIInChI=1S/C18H39ClO2Si/c1-4-20-16-14-17-21-15-12-10-8-6-5-7-9-11-13-18-22(2,3)19/h4-18H2,1-3H3
InChIKeyOWBHHXHUPBPZIC-UHFFFAOYSA-N
MW351.05 g/mol
LogP6.38
Rot. Bonds17

About chloro-[11-(3-ethoxypropoxy)undecyl]-dimethylsilane

chloro-[11-(3-ethoxypropoxy)undecyl]-dimethylsilane (PubChem CID 142718612) has the molecular formula C18H39ClO2Si and a molecular weight of 351.05 g/mol. Its IUPAC name is chloro-[11-(3-ethoxypropoxy)undecyl]-dimethylsilane.

Molecular Properties

Compound Namechloro-[11-(3-ethoxypropoxy)undecyl]-dimethylsilane
PubChem CID142718612
Molecular FormulaC18H39ClO2Si
Molecular Weight351.05 g/mol
Exact Mass350.24
IUPAC Namechloro-[11-(3-ethoxypropoxy)undecyl]-dimethylsilane
SMILESCCOCCCOCCCCCCCCCCC[Si](C)(C)Cl
InChIInChI=1S/C18H39ClO2Si/c1-4-20-16-14-17-21-15-12-10-8-6-5-7-9-11-13-18-22(2,3)19/h4-18H2,1-3H3
InChIKeyOWBHHXHUPBPZIC-UHFFFAOYSA-N
XLogP6.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.05
LogP ≤ 56.38
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

dichloro-[11-[2-(2-ethoxyethoxy)ethoxy]undecyl]-methylsilane
CID 142718627
1-(3-ethoxypropoxy)tetradecane
CID 91693148
chloro-dimethyl-nonadecylsilane
CID 87338427
1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane
CID 89239780
8-[dimethoxy(methyl)silyl]octyl-[8-[10-ethoxydecyl(dimethyl)silyl]octyl]-dimethylsilane
CID 169040245
1-chloro-14-ethoxytetradecane
CID 173330502
1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847
1-ethoxy-14-(8-fluorooctoxy)tetradecane
CID 139714700
chloro-(24-chlorotetracosyl)-dimethylsilane
CID 87683150
1-ethoxy-17-methyloctadecane
CID 91042875
1-(3-ethoxypropoxy)-4-methanidyloxybutane;yttrium
CID 59660846
hydroxy-dimethyl-(6-propoxyhexyl)silane
CID 169054563

Frequently Asked Questions

What is the IUPAC name of chloro-[11-(3-ethoxypropoxy)undecyl]-dimethylsilane?
The IUPAC name of chloro-[11-(3-ethoxypropoxy)undecyl]-dimethylsilane (CID 142718612) is chloro-[11-(3-ethoxypropoxy)undecyl]-dimethylsilane.
What is the SMILES notation for chloro-[11-(3-ethoxypropoxy)undecyl]-dimethylsilane?
The canonical SMILES for chloro-[11-(3-ethoxypropoxy)undecyl]-dimethylsilane is CCOCCCOCCCCCCCCCCC[Si](C)(C)Cl.
What is the InChIKey of chloro-[11-(3-ethoxypropoxy)undecyl]-dimethylsilane?
The InChIKey is OWBHHXHUPBPZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39ClO2Si/c1-4-20-16-14-17-21-15-12-10-8-6-5-7-9-11-13-18-22(2,3)19/h4-18H2,1-3H3.
What are the key properties of chloro-[11-(3-ethoxypropoxy)undecyl]-dimethylsilane?
chloro-[11-(3-ethoxypropoxy)undecyl]-dimethylsilane has a molecular weight of 351.05 g/mol, XLogP of 6.38, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[11-(3-ethoxypropoxy)undecyl]-dimethylsilane is sourced from PubChem (CID 142718612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).