1-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one

C15H28O2Si — CID 171844462

IUPAC1-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
SMILESCC(C)(C)[Si](C)(C)OC1CCC(=O)C12CCCC2
InChIInChI=1S/C15H28O2Si/c1-14(2,3)18(4,5)17-13-9-8-12(16)15(13)10-6-7-11-15/h13H,6-11H2,1-5H3
InChIKeyOOPXCZRHVRTSPC-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.30
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one

1-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one (PubChem CID 171844462) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
PubChem CID171844462
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
SMILESCC(C)(C)[Si](C)(C)OC1CCC(=O)C12CCCC2
InChIInChI=1S/C15H28O2Si/c1-14(2,3)18(4,5)17-13-9-8-12(16)15(13)10-6-7-11-15/h13H,6-11H2,1-5H3
InChIKeyOOPXCZRHVRTSPC-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.30
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 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one (CID 171844462) is 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one is CC(C)(C)[Si](C)(C)OC1CCC(=O)C12CCCC2.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one?
The InChIKey is OOPXCZRHVRTSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-14(2,3)18(4,5)17-13-9-8-12(16)15(13)10-6-7-11-15/h13H,6-11H2,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one?
1-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one has a molecular weight of 268.47 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one is sourced from PubChem (CID 171844462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).