1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one

C15H26O3Si — CID 172628543

IUPAC1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESCC12C=CC(CO[Si](C)(C)C(C)(C)C)(CC(=O)C1)O2
InChIInChI=1S/C15H26O3Si/c1-13(2,3)19(5,6)17-11-15-8-7-14(4,18-15)9-12(16)10-15/h7-8H,9-11H2,1-6H3
InChIKeyVGCXNQMCIKRKCI-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.45
Rot. Bonds3

About 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one

1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one (PubChem CID 172628543) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one.

Molecular Properties

Compound Name1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
PubChem CID172628543
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Name1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESCC12C=CC(CO[Si](C)(C)C(C)(C)C)(CC(=O)C1)O2
InChIInChI=1S/C15H26O3Si/c1-13(2,3)19(5,6)17-11-15-8-7-14(4,18-15)9-12(16)10-15/h7-8H,9-11H2,1-6H3
InChIKeyVGCXNQMCIKRKCI-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The IUPAC name of 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one (CID 172628543) is 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one.
What is the SMILES notation for 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The canonical SMILES for 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one is CC12C=CC(CO[Si](C)(C)C(C)(C)C)(CC(=O)C1)O2.
What is the InChIKey of 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The InChIKey is VGCXNQMCIKRKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-13(2,3)19(5,6)17-11-15-8-7-14(4,18-15)9-12(16)10-15/h7-8H,9-11H2,1-6H3.
What are the key properties of 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one has a molecular weight of 282.46 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one is sourced from PubChem (CID 172628543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).