tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane

C16H30OSi — CID 171844194

IUPACtert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane
SMILESC=C1CCC(O[Si](C)(C)C(C)(C)C)C12CCCC2
InChIInChI=1S/C16H30OSi/c1-13-9-10-14(16(13)11-7-8-12-16)17-18(5,6)15(2,3)4/h14H,1,7-12H2,2-6H3
InChIKeyPNURQCXHFARKOM-UHFFFAOYSA-N
MW266.50 g/mol
LogP5.29
Rot. Bonds2

About tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane

tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane (PubChem CID 171844194) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane
PubChem CID171844194
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane
SMILESC=C1CCC(O[Si](C)(C)C(C)(C)C)C12CCCC2
InChIInChI=1S/C16H30OSi/c1-13-9-10-14(16(13)11-7-8-12-16)17-18(5,6)15(2,3)4/h14H,1,7-12H2,2-6H3
InChIKeyPNURQCXHFARKOM-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.29
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-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane?
The IUPAC name of tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane (CID 171844194) is tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane?
The canonical SMILES for tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane is C=C1CCC(O[Si](C)(C)C(C)(C)C)C12CCCC2.
What is the InChIKey of tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane?
The InChIKey is PNURQCXHFARKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-13-9-10-14(16(13)11-7-8-12-16)17-18(5,6)15(2,3)4/h14H,1,7-12H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane?
tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane has a molecular weight of 266.50 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane is sourced from PubChem (CID 171844194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).