4-ethylsulfanyl-3-trimethylsilyl-1-oxaspiro[4.5]dec-3-en-2-one

C14H24O2SSi — CID 14682661

IUPAC4-ethylsulfanyl-3-trimethylsilyl-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCCSC1=C([Si](C)(C)C)C(=O)OC12CCCCC2
InChIInChI=1S/C14H24O2SSi/c1-5-17-12-11(18(2,3)4)13(15)16-14(12)9-7-6-8-10-14/h5-10H2,1-4H3
InChIKeyMXCHSWQJKHUDSE-UHFFFAOYSA-N
MW284.50 g/mol
LogP4.13
Rot. Bonds3

About 4-ethylsulfanyl-3-trimethylsilyl-1-oxaspiro[4.5]dec-3-en-2-one

4-ethylsulfanyl-3-trimethylsilyl-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 14682661) has the molecular formula C14H24O2SSi and a molecular weight of 284.50 g/mol. Its IUPAC name is 4-ethylsulfanyl-3-trimethylsilyl-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-ethylsulfanyl-3-trimethylsilyl-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID14682661
Molecular FormulaC14H24O2SSi
Molecular Weight284.50 g/mol
Exact Mass284.13
IUPAC Name4-ethylsulfanyl-3-trimethylsilyl-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCCSC1=C([Si](C)(C)C)C(=O)OC12CCCCC2
InChIInChI=1S/C14H24O2SSi/c1-5-17-12-11(18(2,3)4)13(15)16-14(12)9-7-6-8-10-14/h5-10H2,1-4H3
InChIKeyMXCHSWQJKHUDSE-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-3-trimethylsilyl-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-ethylsulfanyl-3-trimethylsilyl-1-oxaspiro[4.5]dec-3-en-2-one (CID 14682661) is 4-ethylsulfanyl-3-trimethylsilyl-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-ethylsulfanyl-3-trimethylsilyl-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-ethylsulfanyl-3-trimethylsilyl-1-oxaspiro[4.5]dec-3-en-2-one is CCSC1=C([Si](C)(C)C)C(=O)OC12CCCCC2.
What is the InChIKey of 4-ethylsulfanyl-3-trimethylsilyl-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is MXCHSWQJKHUDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2SSi/c1-5-17-12-11(18(2,3)4)13(15)16-14(12)9-7-6-8-10-14/h5-10H2,1-4H3.
What are the key properties of 4-ethylsulfanyl-3-trimethylsilyl-1-oxaspiro[4.5]dec-3-en-2-one?
4-ethylsulfanyl-3-trimethylsilyl-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 284.50 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-3-trimethylsilyl-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 14682661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).