9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxaspiro[4.5]dec-6-en-8-one

C15H26O4Si — CID 102343738

IUPAC9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC(C)(C)[Si](C)(C)OCC1CC2(C=CC1=O)COCO2
InChIInChI=1S/C15H26O4Si/c1-14(2,3)20(4,5)19-9-12-8-15(7-6-13(12)16)10-17-11-18-15/h6-7,12H,8-11H2,1-5H3
InChIKeyCGDYWJNWDRTJBA-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.90
Rot. Bonds3

About 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxaspiro[4.5]dec-6-en-8-one

9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxaspiro[4.5]dec-6-en-8-one (PubChem CID 102343738) has the molecular formula C15H26O4Si and a molecular weight of 298.45 g/mol. Its IUPAC name is 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxaspiro[4.5]dec-6-en-8-one.

Molecular Properties

Compound Name9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxaspiro[4.5]dec-6-en-8-one
PubChem CID102343738
Molecular FormulaC15H26O4Si
Molecular Weight298.45 g/mol
Exact Mass298.16
IUPAC Name9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC(C)(C)[Si](C)(C)OCC1CC2(C=CC1=O)COCO2
InChIInChI=1S/C15H26O4Si/c1-14(2,3)20(4,5)19-9-12-8-15(7-6-13(12)16)10-17-11-18-15/h6-7,12H,8-11H2,1-5H3
InChIKeyCGDYWJNWDRTJBA-UHFFFAOYSA-N
XLogP2.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-ene-4-carboxylate
CID 134840176
9-[[Tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 166438065

Frequently Asked Questions

What is the IUPAC name of 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxaspiro[4.5]dec-6-en-8-one?
The IUPAC name of 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxaspiro[4.5]dec-6-en-8-one (CID 102343738) is 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxaspiro[4.5]dec-6-en-8-one.
What is the SMILES notation for 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxaspiro[4.5]dec-6-en-8-one?
The canonical SMILES for 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxaspiro[4.5]dec-6-en-8-one is CC(C)(C)[Si](C)(C)OCC1CC2(C=CC1=O)COCO2.
What is the InChIKey of 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxaspiro[4.5]dec-6-en-8-one?
The InChIKey is CGDYWJNWDRTJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-14(2,3)20(4,5)19-9-12-8-15(7-6-13(12)16)10-17-11-18-15/h6-7,12H,8-11H2,1-5H3.
What are the key properties of 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxaspiro[4.5]dec-6-en-8-one?
9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxaspiro[4.5]dec-6-en-8-one has a molecular weight of 298.45 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxaspiro[4.5]dec-6-en-8-one is sourced from PubChem (CID 102343738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).