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

C10H16O2Si — CID 102190726

IUPAC(3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one
SMILESCC1([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-/m0/s1
InChIKeyMKPYEERIADAASN-AXDSSHIGSA-N
MW196.32 g/mol
LogP1.92
Rot. Bonds1

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

(3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one (PubChem CID 102190726) has the molecular formula C10H16O2Si and a molecular weight of 196.32 g/mol. Its IUPAC name is (3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one.

Molecular Properties

Compound Name(3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one
PubChem CID102190726
Molecular FormulaC10H16O2Si
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name(3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one
SMILESCC1([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-/m0/s1
InChIKeyMKPYEERIADAASN-AXDSSHIGSA-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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Related Compounds

(3R)-2,2,4,4-tetramethyl-1-oxaspiro[2.4]hept-6-en-5-one
CID 15744301
(2S,3R)-2-(trimethylsilylmethyl)-1-oxaspiro[2.4]hept-4-en-6-one
CID 71507303
(2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one
CID 71507304

Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one?
The IUPAC name of (3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one (CID 102190726) is (3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one.
What is the SMILES notation for (3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one?
The canonical SMILES for (3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one is CC1([Si](C)(C)C)O[C@]12C=CC(=O)C2.
What is the InChIKey of (3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one?
The InChIKey is MKPYEERIADAASN-AXDSSHIGSA-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-/m0/s1.
What are the key properties of (3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one?
(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 (3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one is sourced from PubChem (CID 102190726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).