(2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one

C10H16O2Si — CID 71507304

IUPAC(2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one
SMILESC[C@]1([Si](C)(C)C)O[C@]12C=CC(=O)C2
InChIInChI=1S/C10H16O2Si/c1-9(13(2,3)4)10(12-9)6-5-8(11)7-10/h5-6H,7H2,1-4H3/t9-,10+/m1/s1
InChIKeyMKPYEERIADAASN-ZJUUUORDSA-N
MW196.32 g/mol
LogP1.92
Rot. Bonds1

About (2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one

(2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one (PubChem CID 71507304) has the molecular formula C10H16O2Si and a molecular weight of 196.32 g/mol. Its IUPAC name is (2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one.

Molecular Properties

Compound Name(2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one
PubChem CID71507304
Molecular FormulaC10H16O2Si
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name(2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one
SMILESC[C@]1([Si](C)(C)C)O[C@]12C=CC(=O)C2
InChIInChI=1S/C10H16O2Si/c1-9(13(2,3)4)10(12-9)6-5-8(11)7-10/h5-6H,7H2,1-4H3/t9-,10+/m1/s1
InChIKeyMKPYEERIADAASN-ZJUUUORDSA-N
XLogP1.92
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one?
The IUPAC name of (2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one (CID 71507304) is (2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one.
What is the SMILES notation for (2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one?
The canonical SMILES for (2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one is C[C@]1([Si](C)(C)C)O[C@]12C=CC(=O)C2.
What is the InChIKey of (2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one?
The InChIKey is MKPYEERIADAASN-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H16O2Si/c1-9(13(2,3)4)10(12-9)6-5-8(11)7-10/h5-6H,7H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of (2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one?
(2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one has a molecular weight of 196.32 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one is sourced from PubChem (CID 71507304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).