chloro-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane

C19H31ClOSi — CID 18347404

IUPACchloro-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane
SMILESC=CCOc1c(C(C)(C)C)cc(C(C)(C)C)cc1[Si](C)(C)Cl
InChIInChI=1S/C19H31ClOSi/c1-10-11-21-17-15(19(5,6)7)12-14(18(2,3)4)13-16(17)22(8,9)20/h10,12-13H,1,11H2,2-9H3
InChIKeyRZSDGEZLTRZGEN-UHFFFAOYSA-N
MW339.00 g/mol
LogP5.50
Rot. Bonds4

About chloro-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane

chloro-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane (PubChem CID 18347404) has the molecular formula C19H31ClOSi and a molecular weight of 339.00 g/mol. Its IUPAC name is chloro-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane.

Molecular Properties

Compound Namechloro-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane
PubChem CID18347404
Molecular FormulaC19H31ClOSi
Molecular Weight339.00 g/mol
Exact Mass338.18
IUPAC Namechloro-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane
SMILESC=CCOc1c(C(C)(C)C)cc(C(C)(C)C)cc1[Si](C)(C)Cl
InChIInChI=1S/C19H31ClOSi/c1-10-11-21-17-15(19(5,6)7)12-14(18(2,3)4)13-16(17)22(8,9)20/h10,12-13H,1,11H2,2-9H3
InChIKeyRZSDGEZLTRZGEN-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.00
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane?
The IUPAC name of chloro-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane (CID 18347404) is chloro-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane.
What is the SMILES notation for chloro-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane?
The canonical SMILES for chloro-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane is C=CCOc1c(C(C)(C)C)cc(C(C)(C)C)cc1[Si](C)(C)Cl.
What is the InChIKey of chloro-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane?
The InChIKey is RZSDGEZLTRZGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31ClOSi/c1-10-11-21-17-15(19(5,6)7)12-14(18(2,3)4)13-16(17)22(8,9)20/h10,12-13H,1,11H2,2-9H3.
What are the key properties of chloro-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane?
chloro-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane has a molecular weight of 339.00 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane is sourced from PubChem (CID 18347404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).