tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane

C13H26OSi — CID 66844818

IUPACtert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane
SMILESC=CCC1(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C13H26OSi/c1-7-9-13(10-8-11-13)14-15(5,6)12(2,3)4/h7H,1,8-11H2,2-6H3
InChIKeyNJMNWXOEXPQLCI-UHFFFAOYSA-N
MW226.44 g/mol
LogP4.51
Rot. Bonds4

About tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane

tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane (PubChem CID 66844818) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane
PubChem CID66844818
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Nametert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane
SMILESC=CCC1(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C13H26OSi/c1-7-9-13(10-8-11-13)14-15(5,6)12(2,3)4/h7H,1,8-11H2,2-6H3
InChIKeyNJMNWXOEXPQLCI-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.51
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane?
The IUPAC name of tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane (CID 66844818) is tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane?
The canonical SMILES for tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane is C=CCC1(O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane?
The InChIKey is NJMNWXOEXPQLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-7-9-13(10-8-11-13)14-15(5,6)12(2,3)4/h7H,1,8-11H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane?
tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane has a molecular weight of 226.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane is sourced from PubChem (CID 66844818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).