chloro-(2-cyclohex-3-en-1-ylethyl)-diethoxysilane

C12H23ClO2Si — CID 19819107

IUPACchloro-(2-cyclohex-3-en-1-ylethyl)-diethoxysilane
SMILESCCO[Si](Cl)(CCC1CC=CCC1)OCC
InChIInChI=1S/C12H23ClO2Si/c1-3-14-16(13,15-4-2)11-10-12-8-6-5-7-9-12/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyZDDSYYTWIYVCEH-UHFFFAOYSA-N
MW262.85 g/mol
LogP3.98
Rot. Bonds7

About chloro-(2-cyclohex-3-en-1-ylethyl)-diethoxysilane

chloro-(2-cyclohex-3-en-1-ylethyl)-diethoxysilane (PubChem CID 19819107) has the molecular formula C12H23ClO2Si and a molecular weight of 262.85 g/mol. Its IUPAC name is chloro-(2-cyclohex-3-en-1-ylethyl)-diethoxysilane.

Molecular Properties

Compound Namechloro-(2-cyclohex-3-en-1-ylethyl)-diethoxysilane
PubChem CID19819107
Molecular FormulaC12H23ClO2Si
Molecular Weight262.85 g/mol
Exact Mass262.12
IUPAC Namechloro-(2-cyclohex-3-en-1-ylethyl)-diethoxysilane
SMILESCCO[Si](Cl)(CCC1CC=CCC1)OCC
InChIInChI=1S/C12H23ClO2Si/c1-3-14-16(13,15-4-2)11-10-12-8-6-5-7-9-12/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyZDDSYYTWIYVCEH-UHFFFAOYSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.85
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-(2-cyclohex-3-en-1-ylethyl)-diethoxysilane?
The IUPAC name of chloro-(2-cyclohex-3-en-1-ylethyl)-diethoxysilane (CID 19819107) is chloro-(2-cyclohex-3-en-1-ylethyl)-diethoxysilane.
What is the SMILES notation for chloro-(2-cyclohex-3-en-1-ylethyl)-diethoxysilane?
The canonical SMILES for chloro-(2-cyclohex-3-en-1-ylethyl)-diethoxysilane is CCO[Si](Cl)(CCC1CC=CCC1)OCC.
What is the InChIKey of chloro-(2-cyclohex-3-en-1-ylethyl)-diethoxysilane?
The InChIKey is ZDDSYYTWIYVCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClO2Si/c1-3-14-16(13,15-4-2)11-10-12-8-6-5-7-9-12/h5-6,12H,3-4,7-11H2,1-2H3.
What are the key properties of chloro-(2-cyclohex-3-en-1-ylethyl)-diethoxysilane?
chloro-(2-cyclohex-3-en-1-ylethyl)-diethoxysilane has a molecular weight of 262.85 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2-cyclohex-3-en-1-ylethyl)-diethoxysilane is sourced from PubChem (CID 19819107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).