tert-butyl-dimethyl-(7-methylidenespiro[2.4]heptan-4-yl)oxysilane

C14H26OSi — CID 171844297

IUPACtert-butyl-dimethyl-(7-methylidenespiro[2.4]heptan-4-yl)oxysilane
SMILESC=C1CCC(O[Si](C)(C)C(C)(C)C)C12CC2
InChIInChI=1S/C14H26OSi/c1-11-7-8-12(14(11)9-10-14)15-16(5,6)13(2,3)4/h12H,1,7-10H2,2-6H3
InChIKeyBBUTXYUVNRJGGO-UHFFFAOYSA-N
MW238.45 g/mol
LogP4.51
Rot. Bonds2

About tert-butyl-dimethyl-(7-methylidenespiro[2.4]heptan-4-yl)oxysilane

tert-butyl-dimethyl-(7-methylidenespiro[2.4]heptan-4-yl)oxysilane (PubChem CID 171844297) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-(7-methylidenespiro[2.4]heptan-4-yl)oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(7-methylidenespiro[2.4]heptan-4-yl)oxysilane
PubChem CID171844297
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Nametert-butyl-dimethyl-(7-methylidenespiro[2.4]heptan-4-yl)oxysilane
SMILESC=C1CCC(O[Si](C)(C)C(C)(C)C)C12CC2
InChIInChI=1S/C14H26OSi/c1-11-7-8-12(14(11)9-10-14)15-16(5,6)13(2,3)4/h12H,1,7-10H2,2-6H3
InChIKeyBBUTXYUVNRJGGO-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
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-(7-methylidenespiro[2.4]heptan-4-yl)oxysilane?
The IUPAC name of tert-butyl-dimethyl-(7-methylidenespiro[2.4]heptan-4-yl)oxysilane (CID 171844297) is tert-butyl-dimethyl-(7-methylidenespiro[2.4]heptan-4-yl)oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-(7-methylidenespiro[2.4]heptan-4-yl)oxysilane?
The canonical SMILES for tert-butyl-dimethyl-(7-methylidenespiro[2.4]heptan-4-yl)oxysilane is C=C1CCC(O[Si](C)(C)C(C)(C)C)C12CC2.
What is the InChIKey of tert-butyl-dimethyl-(7-methylidenespiro[2.4]heptan-4-yl)oxysilane?
The InChIKey is BBUTXYUVNRJGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OSi/c1-11-7-8-12(14(11)9-10-14)15-16(5,6)13(2,3)4/h12H,1,7-10H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-(7-methylidenespiro[2.4]heptan-4-yl)oxysilane?
tert-butyl-dimethyl-(7-methylidenespiro[2.4]heptan-4-yl)oxysilane has a molecular weight of 238.45 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(7-methylidenespiro[2.4]heptan-4-yl)oxysilane is sourced from PubChem (CID 171844297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).