tert-butyl-dimethyl-(2-oxaspiro[3.5]non-6-en-7-yloxy)silane

C14H26O2Si — CID 174035895

IUPACtert-butyl-dimethyl-(2-oxaspiro[3.5]non-6-en-7-yloxy)silane
SMILESCC(C)(C)[Si](C)(C)OC1=CCC2(CC1)COC2
InChIInChI=1S/C14H26O2Si/c1-13(2,3)17(4,5)16-12-6-8-14(9-7-12)10-15-11-14/h6H,7-11H2,1-5H3
InChIKeyCCEFRHSKIDXHSV-UHFFFAOYSA-N
MW254.45 g/mol
LogP4.09
Rot. Bonds2

About tert-butyl-dimethyl-(2-oxaspiro[3.5]non-6-en-7-yloxy)silane

tert-butyl-dimethyl-(2-oxaspiro[3.5]non-6-en-7-yloxy)silane (PubChem CID 174035895) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-oxaspiro[3.5]non-6-en-7-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-oxaspiro[3.5]non-6-en-7-yloxy)silane
PubChem CID174035895
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Nametert-butyl-dimethyl-(2-oxaspiro[3.5]non-6-en-7-yloxy)silane
SMILESCC(C)(C)[Si](C)(C)OC1=CCC2(CC1)COC2
InChIInChI=1S/C14H26O2Si/c1-13(2,3)17(4,5)16-12-6-8-14(9-7-12)10-15-11-14/h6H,7-11H2,1-5H3
InChIKeyCCEFRHSKIDXHSV-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-oxaspiro[3.5]non-6-en-7-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2-oxaspiro[3.5]non-6-en-7-yloxy)silane (CID 174035895) is tert-butyl-dimethyl-(2-oxaspiro[3.5]non-6-en-7-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2-oxaspiro[3.5]non-6-en-7-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2-oxaspiro[3.5]non-6-en-7-yloxy)silane is CC(C)(C)[Si](C)(C)OC1=CCC2(CC1)COC2.
What is the InChIKey of tert-butyl-dimethyl-(2-oxaspiro[3.5]non-6-en-7-yloxy)silane?
The InChIKey is CCEFRHSKIDXHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-13(2,3)17(4,5)16-12-6-8-14(9-7-12)10-15-11-14/h6H,7-11H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(2-oxaspiro[3.5]non-6-en-7-yloxy)silane?
tert-butyl-dimethyl-(2-oxaspiro[3.5]non-6-en-7-yloxy)silane has a molecular weight of 254.45 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2-oxaspiro[3.5]non-6-en-7-yloxy)silane is sourced from PubChem (CID 174035895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).