chloro-diethyl-(2-ethylhexoxy)silane

C12H27ClOSi — CID 91704440

IUPACchloro-diethyl-(2-ethylhexoxy)silane
SMILESCCCCC(CC)CO[Si](Cl)(CC)CC
InChIInChI=1S/C12H27ClOSi/c1-5-9-10-12(6-2)11-14-15(13,7-3)8-4/h12H,5-11H2,1-4H3
InChIKeyHRCJIYRPGJVMRK-UHFFFAOYSA-N
MW250.89 g/mol
LogP4.94
Rot. Bonds9

About chloro-diethyl-(2-ethylhexoxy)silane

chloro-diethyl-(2-ethylhexoxy)silane (PubChem CID 91704440) has the molecular formula C12H27ClOSi and a molecular weight of 250.89 g/mol. Its IUPAC name is chloro-diethyl-(2-ethylhexoxy)silane.

Molecular Properties

Compound Namechloro-diethyl-(2-ethylhexoxy)silane
PubChem CID91704440
Molecular FormulaC12H27ClOSi
Molecular Weight250.89 g/mol
Exact Mass250.15
IUPAC Namechloro-diethyl-(2-ethylhexoxy)silane
SMILESCCCCC(CC)CO[Si](Cl)(CC)CC
InChIInChI=1S/C12H27ClOSi/c1-5-9-10-12(6-2)11-14-15(13,7-3)8-4/h12H,5-11H2,1-4H3
InChIKeyHRCJIYRPGJVMRK-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.89
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-diethyl-(2-ethylhexoxy)silane?
The IUPAC name of chloro-diethyl-(2-ethylhexoxy)silane (CID 91704440) is chloro-diethyl-(2-ethylhexoxy)silane.
What is the SMILES notation for chloro-diethyl-(2-ethylhexoxy)silane?
The canonical SMILES for chloro-diethyl-(2-ethylhexoxy)silane is CCCCC(CC)CO[Si](Cl)(CC)CC.
What is the InChIKey of chloro-diethyl-(2-ethylhexoxy)silane?
The InChIKey is HRCJIYRPGJVMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27ClOSi/c1-5-9-10-12(6-2)11-14-15(13,7-3)8-4/h12H,5-11H2,1-4H3.
What are the key properties of chloro-diethyl-(2-ethylhexoxy)silane?
chloro-diethyl-(2-ethylhexoxy)silane has a molecular weight of 250.89 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-diethyl-(2-ethylhexoxy)silane is sourced from PubChem (CID 91704440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).