tert-butyl-dimethyl-propoxysilane

C9H22OSi — CID 529185

IUPACtert-butyl-dimethyl-propoxysilane
SMILESCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H22OSi/c1-7-8-10-11(5,6)9(2,3)4/h7-8H2,1-6H3
InChIKeyFPTCHHKCUSVAOO-UHFFFAOYSA-N
MW174.36 g/mol
LogP3.42
Rot. Bonds3

About tert-butyl-dimethyl-propoxysilane

tert-butyl-dimethyl-propoxysilane (PubChem CID 529185) has the molecular formula C9H22OSi and a molecular weight of 174.36 g/mol. Its IUPAC name is tert-butyl-dimethyl-propoxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-propoxysilane
PubChem CID529185
Molecular FormulaC9H22OSi
Molecular Weight174.36 g/mol
Exact Mass174.14
IUPAC Nametert-butyl-dimethyl-propoxysilane
SMILESCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H22OSi/c1-7-8-10-11(5,6)9(2,3)4/h7-8H2,1-6H3
InChIKeyFPTCHHKCUSVAOO-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-propoxysilane?
The IUPAC name of tert-butyl-dimethyl-propoxysilane (CID 529185) is tert-butyl-dimethyl-propoxysilane.
What is the SMILES notation for tert-butyl-dimethyl-propoxysilane?
The canonical SMILES for tert-butyl-dimethyl-propoxysilane is CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-propoxysilane?
The InChIKey is FPTCHHKCUSVAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22OSi/c1-7-8-10-11(5,6)9(2,3)4/h7-8H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-propoxysilane?
tert-butyl-dimethyl-propoxysilane has a molecular weight of 174.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-propoxysilane is sourced from PubChem (CID 529185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).