4-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-7-one

C13H24O2Si — CID 171844436

IUPAC4-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-7-one
SMILESCC(C)(C)[Si](C)(C)OC1CCC(=O)C12CC2
InChIInChI=1S/C13H24O2Si/c1-12(2,3)16(4,5)15-11-7-6-10(14)13(11)8-9-13/h11H,6-9H2,1-5H3
InChIKeyMIWIMCBZPXBZRV-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.52
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-7-one

4-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-7-one (PubChem CID 171844436) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-7-one
PubChem CID171844436
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-7-one
SMILESCC(C)(C)[Si](C)(C)OC1CCC(=O)C12CC2
InChIInChI=1S/C13H24O2Si/c1-12(2,3)16(4,5)15-11-7-6-10(14)13(11)8-9-13/h11H,6-9H2,1-5H3
InChIKeyMIWIMCBZPXBZRV-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.52
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 4-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-7-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-7-one (CID 171844436) is 4-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-7-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-7-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-7-one is CC(C)(C)[Si](C)(C)OC1CCC(=O)C12CC2.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-7-one?
The InChIKey is MIWIMCBZPXBZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-12(2,3)16(4,5)15-11-7-6-10(14)13(11)8-9-13/h11H,6-9H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-7-one?
4-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-7-one has a molecular weight of 240.42 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-7-one is sourced from PubChem (CID 171844436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).