4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one

C16H30O2Si — CID 90036942

IUPAC4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCC12CCC(=O)CC2
InChIInChI=1S/C16H30O2Si/c1-15(2,3)19(4,5)18-14-7-6-10-16(14)11-8-13(17)9-12-16/h14H,6-12H2,1-5H3
InChIKeyOMNXRJJVNHXDCU-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.69
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one

4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one (PubChem CID 90036942) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
PubChem CID90036942
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCC12CCC(=O)CC2
InChIInChI=1S/C16H30O2Si/c1-15(2,3)19(4,5)18-14-7-6-10-16(14)11-8-13(17)9-12-16/h14H,6-12H2,1-5H3
InChIKeyOMNXRJJVNHXDCU-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.69
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[4.5]decan-8-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one (CID 90036942) is 4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one is CC(C)(C)[Si](C)(C)OC1CCCC12CCC(=O)CC2.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one?
The InChIKey is OMNXRJJVNHXDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-15(2,3)19(4,5)18-14-7-6-10-16(14)11-8-13(17)9-12-16/h14H,6-12H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one?
4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one has a molecular weight of 282.50 g/mol, XLogP of 4.69, 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[4.5]decan-8-one is sourced from PubChem (CID 90036942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).