tert-butyl-dimethyl-prop-1-ynoxysilane

C9H18OSi — CID 87518590

IUPACtert-butyl-dimethyl-prop-1-ynoxysilane
SMILESCC#CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H18OSi/c1-7-8-10-11(5,6)9(2,3)4/h1-6H3
InChIKeyFLQSGFXLHLQJNX-UHFFFAOYSA-N
MW170.33 g/mol
LogP2.99
Rot. Bonds1

About tert-butyl-dimethyl-prop-1-ynoxysilane

tert-butyl-dimethyl-prop-1-ynoxysilane (PubChem CID 87518590) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is tert-butyl-dimethyl-prop-1-ynoxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-prop-1-ynoxysilane
PubChem CID87518590
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Nametert-butyl-dimethyl-prop-1-ynoxysilane
SMILESCC#CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H18OSi/c1-7-8-10-11(5,6)9(2,3)4/h1-6H3
InChIKeyFLQSGFXLHLQJNX-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-prop-1-ynoxysilane?
The IUPAC name of tert-butyl-dimethyl-prop-1-ynoxysilane (CID 87518590) is tert-butyl-dimethyl-prop-1-ynoxysilane.
What is the SMILES notation for tert-butyl-dimethyl-prop-1-ynoxysilane?
The canonical SMILES for tert-butyl-dimethyl-prop-1-ynoxysilane is CC#CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-prop-1-ynoxysilane?
The InChIKey is FLQSGFXLHLQJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OSi/c1-7-8-10-11(5,6)9(2,3)4/h1-6H3.
What are the key properties of tert-butyl-dimethyl-prop-1-ynoxysilane?
tert-butyl-dimethyl-prop-1-ynoxysilane has a molecular weight of 170.33 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-prop-1-ynoxysilane is sourced from PubChem (CID 87518590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).