tert-butyl-dimethyl-spiro[4.4]non-1-en-4-yloxysilane

C15H28OSi — CID 67760573

IUPACtert-butyl-dimethyl-spiro[4.4]non-1-en-4-yloxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CC=CC12CCCC2
InChIInChI=1S/C15H28OSi/c1-14(2,3)17(4,5)16-13-9-8-12-15(13)10-6-7-11-15/h8,12-13H,6-7,9-11H2,1-5H3
InChIKeyXMYJKPGQIOMXBG-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.90
Rot. Bonds2

About tert-butyl-dimethyl-spiro[4.4]non-1-en-4-yloxysilane

tert-butyl-dimethyl-spiro[4.4]non-1-en-4-yloxysilane (PubChem CID 67760573) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-spiro[4.4]non-1-en-4-yloxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-spiro[4.4]non-1-en-4-yloxysilane
PubChem CID67760573
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Nametert-butyl-dimethyl-spiro[4.4]non-1-en-4-yloxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CC=CC12CCCC2
InChIInChI=1S/C15H28OSi/c1-14(2,3)17(4,5)16-13-9-8-12-15(13)10-6-7-11-15/h8,12-13H,6-7,9-11H2,1-5H3
InChIKeyXMYJKPGQIOMXBG-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.90
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-spiro[4.4]non-1-en-4-yloxysilane?
The IUPAC name of tert-butyl-dimethyl-spiro[4.4]non-1-en-4-yloxysilane (CID 67760573) is tert-butyl-dimethyl-spiro[4.4]non-1-en-4-yloxysilane.
What is the SMILES notation for tert-butyl-dimethyl-spiro[4.4]non-1-en-4-yloxysilane?
The canonical SMILES for tert-butyl-dimethyl-spiro[4.4]non-1-en-4-yloxysilane is CC(C)(C)[Si](C)(C)OC1CC=CC12CCCC2.
What is the InChIKey of tert-butyl-dimethyl-spiro[4.4]non-1-en-4-yloxysilane?
The InChIKey is XMYJKPGQIOMXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-14(2,3)17(4,5)16-13-9-8-12-15(13)10-6-7-11-15/h8,12-13H,6-7,9-11H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-spiro[4.4]non-1-en-4-yloxysilane?
tert-butyl-dimethyl-spiro[4.4]non-1-en-4-yloxysilane has a molecular weight of 252.47 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-spiro[4.4]non-1-en-4-yloxysilane is sourced from PubChem (CID 67760573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).