tert-butyl-chloro-(dimethylsilyloxymethyl)-ethenylsilane

C9H21ClOSi2 — CID 175586990

IUPACtert-butyl-chloro-(dimethylsilyloxymethyl)-ethenylsilane
SMILESC=C[Si](Cl)(CO[SiH](C)C)C(C)(C)C
InChIInChI=1S/C9H21ClOSi2/c1-7-13(10,9(2,3)4)8-11-12(5)6/h7,12H,1,8H2,2-6H3
InChIKeyHTZSYTDJPXDCBU-UHFFFAOYSA-N
MW236.89 g/mol
LogP3.24
Rot. Bonds4

About tert-butyl-chloro-(dimethylsilyloxymethyl)-ethenylsilane

tert-butyl-chloro-(dimethylsilyloxymethyl)-ethenylsilane (PubChem CID 175586990) has the molecular formula C9H21ClOSi2 and a molecular weight of 236.89 g/mol. Its IUPAC name is tert-butyl-chloro-(dimethylsilyloxymethyl)-ethenylsilane.

Molecular Properties

Compound Nametert-butyl-chloro-(dimethylsilyloxymethyl)-ethenylsilane
PubChem CID175586990
Molecular FormulaC9H21ClOSi2
Molecular Weight236.89 g/mol
Exact Mass236.08
IUPAC Nametert-butyl-chloro-(dimethylsilyloxymethyl)-ethenylsilane
SMILESC=C[Si](Cl)(CO[SiH](C)C)C(C)(C)C
InChIInChI=1S/C9H21ClOSi2/c1-7-13(10,9(2,3)4)8-11-12(5)6/h7,12H,1,8H2,2-6H3
InChIKeyHTZSYTDJPXDCBU-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.89
LogP ≤ 53.24
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 tert-butyl-chloro-(dimethylsilyloxymethyl)-ethenylsilane?
The IUPAC name of tert-butyl-chloro-(dimethylsilyloxymethyl)-ethenylsilane (CID 175586990) is tert-butyl-chloro-(dimethylsilyloxymethyl)-ethenylsilane.
What is the SMILES notation for tert-butyl-chloro-(dimethylsilyloxymethyl)-ethenylsilane?
The canonical SMILES for tert-butyl-chloro-(dimethylsilyloxymethyl)-ethenylsilane is C=C[Si](Cl)(CO[SiH](C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-chloro-(dimethylsilyloxymethyl)-ethenylsilane?
The InChIKey is HTZSYTDJPXDCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClOSi2/c1-7-13(10,9(2,3)4)8-11-12(5)6/h7,12H,1,8H2,2-6H3.
What are the key properties of tert-butyl-chloro-(dimethylsilyloxymethyl)-ethenylsilane?
tert-butyl-chloro-(dimethylsilyloxymethyl)-ethenylsilane has a molecular weight of 236.89 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-chloro-(dimethylsilyloxymethyl)-ethenylsilane is sourced from PubChem (CID 175586990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).