9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]dec-6-en-8-one

C15H26O4Si — CID 166438065

IUPAC9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC(C)(C)[Si](C)(C)OCC1CC2(C=CC1=O)OCCO2
InChIInChI=1S/C15H26O4Si/c1-14(2,3)20(4,5)19-11-12-10-15(7-6-13(12)16)17-8-9-18-15/h6-7,12H,8-11H2,1-5H3
InChIKeyKKSZUQBGXMXPBT-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.90
Rot. Bonds3

About 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]dec-6-en-8-one

9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]dec-6-en-8-one (PubChem CID 166438065) has the molecular formula C15H26O4Si and a molecular weight of 298.46 g/mol. Its IUPAC name is 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]dec-6-en-8-one.

Molecular Properties

Compound Name9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]dec-6-en-8-one
PubChem CID166438065
Molecular FormulaC15H26O4Si
Molecular Weight298.46 g/mol
Exact Mass298.16
IUPAC Name9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC(C)(C)[Si](C)(C)OCC1CC2(C=CC1=O)OCCO2
InChIInChI=1S/C15H26O4Si/c1-14(2,3)20(4,5)19-11-12-10-15(7-6-13(12)16)17-8-9-18-15/h6-7,12H,8-11H2,1-5H3
InChIKeyKKSZUQBGXMXPBT-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 ≤ 500298.46
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

(2R,3aS,7aR)-7a-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]-3a,4-dihydro-1,3-benzodioxol-5-one
CID 135024283
tert-butyl [(1S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxocyclohex-2-en-1-yl] carbonate
CID 59002621
(3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-one
CID 11120083
(4S,5R,9S)-9-[tert-butyl(dimethyl)silyl]-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-6-en-8-one
CID 101271793
(4R,5R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-6-en-8-one
CID 101333069
9-[[Tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxaspiro[4.5]dec-6-en-8-one
CID 102343738

Frequently Asked Questions

What is the IUPAC name of 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The IUPAC name of 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]dec-6-en-8-one (CID 166438065) is 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]dec-6-en-8-one.
What is the SMILES notation for 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The canonical SMILES for 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]dec-6-en-8-one is CC(C)(C)[Si](C)(C)OCC1CC2(C=CC1=O)OCCO2.
What is the InChIKey of 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The InChIKey is KKSZUQBGXMXPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-14(2,3)20(4,5)19-11-12-10-15(7-6-13(12)16)17-8-9-18-15/h6-7,12H,8-11H2,1-5H3.
What are the key properties of 9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]dec-6-en-8-one?
9-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]dec-6-en-8-one has a molecular weight of 298.46 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]-1,4-dioxaspiro[4.5]dec-6-en-8-one is sourced from PubChem (CID 166438065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).