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

C15H28O2Si — CID 10445764

IUPAC9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCC12CCCC2=O
InChIInChI=1S/C15H28O2Si/c1-14(2,3)18(4,5)17-13-9-7-11-15(13)10-6-8-12(15)16/h13H,6-11H2,1-5H3
InChIKeyGLWBKBPYZOGUCA-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.30
Rot. Bonds2

About 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one

9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one (PubChem CID 10445764) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
PubChem CID10445764
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCC12CCCC2=O
InChIInChI=1S/C15H28O2Si/c1-14(2,3)18(4,5)17-13-9-7-11-15(13)10-6-8-12(15)16/h13H,6-11H2,1-5H3
InChIKeyGLWBKBPYZOGUCA-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 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one?
The IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one (CID 10445764) is 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one.
What is the SMILES notation for 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one?
The canonical SMILES for 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one is CC(C)(C)[Si](C)(C)OC1CCCC12CCCC2=O.
What is the InChIKey of 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one?
The InChIKey is GLWBKBPYZOGUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-14(2,3)18(4,5)17-13-9-7-11-15(13)10-6-8-12(15)16/h13H,6-11H2,1-5H3.
What are the key properties of 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one?
9-[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 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one is sourced from PubChem (CID 10445764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).