chloro-diethyl-(2-methylbutoxy)silane

C9H21ClOSi — CID 91704484

IUPACchloro-diethyl-(2-methylbutoxy)silane
SMILESCCC(C)CO[Si](Cl)(CC)CC
InChIInChI=1S/C9H21ClOSi/c1-5-9(4)8-11-12(10,6-2)7-3/h9H,5-8H2,1-4H3
InChIKeyGEDDQHLHKRBTLF-UHFFFAOYSA-N
MW208.80 g/mol
LogP3.77
Rot. Bonds6

About chloro-diethyl-(2-methylbutoxy)silane

chloro-diethyl-(2-methylbutoxy)silane (PubChem CID 91704484) has the molecular formula C9H21ClOSi and a molecular weight of 208.80 g/mol. Its IUPAC name is chloro-diethyl-(2-methylbutoxy)silane.

Molecular Properties

Compound Namechloro-diethyl-(2-methylbutoxy)silane
PubChem CID91704484
Molecular FormulaC9H21ClOSi
Molecular Weight208.80 g/mol
Exact Mass208.11
IUPAC Namechloro-diethyl-(2-methylbutoxy)silane
SMILESCCC(C)CO[Si](Cl)(CC)CC
InChIInChI=1S/C9H21ClOSi/c1-5-9(4)8-11-12(10,6-2)7-3/h9H,5-8H2,1-4H3
InChIKeyGEDDQHLHKRBTLF-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.80
LogP ≤ 53.77
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-methylbutoxy)silane?
The IUPAC name of chloro-diethyl-(2-methylbutoxy)silane (CID 91704484) is chloro-diethyl-(2-methylbutoxy)silane.
What is the SMILES notation for chloro-diethyl-(2-methylbutoxy)silane?
The canonical SMILES for chloro-diethyl-(2-methylbutoxy)silane is CCC(C)CO[Si](Cl)(CC)CC.
What is the InChIKey of chloro-diethyl-(2-methylbutoxy)silane?
The InChIKey is GEDDQHLHKRBTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClOSi/c1-5-9(4)8-11-12(10,6-2)7-3/h9H,5-8H2,1-4H3.
What are the key properties of chloro-diethyl-(2-methylbutoxy)silane?
chloro-diethyl-(2-methylbutoxy)silane has a molecular weight of 208.80 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-diethyl-(2-methylbutoxy)silane is sourced from PubChem (CID 91704484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).