(3E)-3-[deuterio(trimethylsilyl)methylidene]-5-ethyloxolan-2-one

C10H18O2Si — CID 59990297

IUPAC(3E)-3-[deuterio(trimethylsilyl)methylidene]-5-ethyloxolan-2-one
SMILES[2H]/C(=C1/CC(CC)OC1=O)[Si](C)(C)C
InChIInChI=1S/C10H18O2Si/c1-5-9-6-8(10(11)12-9)7-13(2,3)4/h7,9H,5-6H2,1-4H3/b8-7+/i7D
InChIKeyTUXOGFFWIYMDIK-HZOGUMOVSA-N
MW199.34 g/mol
LogP2.52
Rot. Bonds2

About (3E)-3-[deuterio(trimethylsilyl)methylidene]-5-ethyloxolan-2-one

(3E)-3-[deuterio(trimethylsilyl)methylidene]-5-ethyloxolan-2-one (PubChem CID 59990297) has the molecular formula C10H18O2Si and a molecular weight of 199.34 g/mol. Its IUPAC name is (3E)-3-[deuterio(trimethylsilyl)methylidene]-5-ethyloxolan-2-one.

Molecular Properties

Compound Name(3E)-3-[deuterio(trimethylsilyl)methylidene]-5-ethyloxolan-2-one
PubChem CID59990297
Molecular FormulaC10H18O2Si
Molecular Weight199.34 g/mol
Exact Mass199.11
IUPAC Name(3E)-3-[deuterio(trimethylsilyl)methylidene]-5-ethyloxolan-2-one
SMILES[2H]/C(=C1/CC(CC)OC1=O)[Si](C)(C)C
InChIInChI=1S/C10H18O2Si/c1-5-9-6-8(10(11)12-9)7-13(2,3)4/h7,9H,5-6H2,1-4H3/b8-7+/i7D
InChIKeyTUXOGFFWIYMDIK-HZOGUMOVSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[deuterio(trimethylsilyl)methylidene]-5-ethyloxolan-2-one?
The IUPAC name of (3E)-3-[deuterio(trimethylsilyl)methylidene]-5-ethyloxolan-2-one (CID 59990297) is (3E)-3-[deuterio(trimethylsilyl)methylidene]-5-ethyloxolan-2-one.
What is the SMILES notation for (3E)-3-[deuterio(trimethylsilyl)methylidene]-5-ethyloxolan-2-one?
The canonical SMILES for (3E)-3-[deuterio(trimethylsilyl)methylidene]-5-ethyloxolan-2-one is [2H]/C(=C1/CC(CC)OC1=O)[Si](C)(C)C.
What is the InChIKey of (3E)-3-[deuterio(trimethylsilyl)methylidene]-5-ethyloxolan-2-one?
The InChIKey is TUXOGFFWIYMDIK-HZOGUMOVSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-5-9-6-8(10(11)12-9)7-13(2,3)4/h7,9H,5-6H2,1-4H3/b8-7+/i7D.
What are the key properties of (3E)-3-[deuterio(trimethylsilyl)methylidene]-5-ethyloxolan-2-one?
(3E)-3-[deuterio(trimethylsilyl)methylidene]-5-ethyloxolan-2-one has a molecular weight of 199.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[deuterio(trimethylsilyl)methylidene]-5-ethyloxolan-2-one is sourced from PubChem (CID 59990297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).