methyl 11-oxo-3-trimethylsilyloxyspiro[5.5]undeca-2,4-diene-10-carboxylate

C16H24O4Si — CID 134866251

IUPACmethyl 11-oxo-3-trimethylsilyloxyspiro[5.5]undeca-2,4-diene-10-carboxylate
SMILESCOC(=O)C1CCCC2(C=CC(O[Si](C)(C)C)=CC2)C1=O
InChIInChI=1S/C16H24O4Si/c1-19-15(18)13-6-5-9-16(14(13)17)10-7-12(8-11-16)20-21(2,3)4/h7-8,10,13H,5-6,9,11H2,1-4H3
InChIKeyDPHVERMICMFZQB-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.21
Rot. Bonds3

About methyl 11-oxo-3-trimethylsilyloxyspiro[5.5]undeca-2,4-diene-10-carboxylate

methyl 11-oxo-3-trimethylsilyloxyspiro[5.5]undeca-2,4-diene-10-carboxylate (PubChem CID 134866251) has the molecular formula C16H24O4Si and a molecular weight of 308.45 g/mol. Its IUPAC name is methyl 11-oxo-3-trimethylsilyloxyspiro[5.5]undeca-2,4-diene-10-carboxylate.

Molecular Properties

Compound Namemethyl 11-oxo-3-trimethylsilyloxyspiro[5.5]undeca-2,4-diene-10-carboxylate
PubChem CID134866251
Molecular FormulaC16H24O4Si
Molecular Weight308.45 g/mol
Exact Mass308.14
IUPAC Namemethyl 11-oxo-3-trimethylsilyloxyspiro[5.5]undeca-2,4-diene-10-carboxylate
SMILESCOC(=O)C1CCCC2(C=CC(O[Si](C)(C)C)=CC2)C1=O
InChIInChI=1S/C16H24O4Si/c1-19-15(18)13-6-5-9-16(14(13)17)10-7-12(8-11-16)20-21(2,3)4/h7-8,10,13H,5-6,9,11H2,1-4H3
InChIKeyDPHVERMICMFZQB-UHFFFAOYSA-N
XLogP3.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 11-oxo-3-trimethylsilyloxyspiro[5.5]undeca-2,4-diene-10-carboxylate?
The IUPAC name of methyl 11-oxo-3-trimethylsilyloxyspiro[5.5]undeca-2,4-diene-10-carboxylate (CID 134866251) is methyl 11-oxo-3-trimethylsilyloxyspiro[5.5]undeca-2,4-diene-10-carboxylate.
What is the SMILES notation for methyl 11-oxo-3-trimethylsilyloxyspiro[5.5]undeca-2,4-diene-10-carboxylate?
The canonical SMILES for methyl 11-oxo-3-trimethylsilyloxyspiro[5.5]undeca-2,4-diene-10-carboxylate is COC(=O)C1CCCC2(C=CC(O[Si](C)(C)C)=CC2)C1=O.
What is the InChIKey of methyl 11-oxo-3-trimethylsilyloxyspiro[5.5]undeca-2,4-diene-10-carboxylate?
The InChIKey is DPHVERMICMFZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4Si/c1-19-15(18)13-6-5-9-16(14(13)17)10-7-12(8-11-16)20-21(2,3)4/h7-8,10,13H,5-6,9,11H2,1-4H3.
What are the key properties of methyl 11-oxo-3-trimethylsilyloxyspiro[5.5]undeca-2,4-diene-10-carboxylate?
methyl 11-oxo-3-trimethylsilyloxyspiro[5.5]undeca-2,4-diene-10-carboxylate has a molecular weight of 308.45 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-oxo-3-trimethylsilyloxyspiro[5.5]undeca-2,4-diene-10-carboxylate is sourced from PubChem (CID 134866251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).