(3E)-3-(trimethylsilyloxymethylidene)oxolan-2-one

C8H14O3Si — CID 12712905

IUPAC(3E)-3-(trimethylsilyloxymethylidene)oxolan-2-one
SMILESC[Si](C)(C)O/C=C1\CCOC1=O
InChIInChI=1S/C8H14O3Si/c1-12(2,3)11-6-7-4-5-10-8(7)9/h6H,4-5H2,1-3H3/b7-6+
InChIKeyUQZPJRHUXCQEAS-VOTSOKGWSA-N
MW186.28 g/mol
LogP1.67
Rot. Bonds2

About (3E)-3-(trimethylsilyloxymethylidene)oxolan-2-one

(3E)-3-(trimethylsilyloxymethylidene)oxolan-2-one (PubChem CID 12712905) has the molecular formula C8H14O3Si and a molecular weight of 186.28 g/mol. Its IUPAC name is (3E)-3-(trimethylsilyloxymethylidene)oxolan-2-one.

Molecular Properties

Compound Name(3E)-3-(trimethylsilyloxymethylidene)oxolan-2-one
PubChem CID12712905
Molecular FormulaC8H14O3Si
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name(3E)-3-(trimethylsilyloxymethylidene)oxolan-2-one
SMILESC[Si](C)(C)O/C=C1\CCOC1=O
InChIInChI=1S/C8H14O3Si/c1-12(2,3)11-6-7-4-5-10-8(7)9/h6H,4-5H2,1-3H3/b7-6+
InChIKeyUQZPJRHUXCQEAS-VOTSOKGWSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-(trimethylsilyloxymethylidene)oxolan-2-one?
The IUPAC name of (3E)-3-(trimethylsilyloxymethylidene)oxolan-2-one (CID 12712905) is (3E)-3-(trimethylsilyloxymethylidene)oxolan-2-one.
What is the SMILES notation for (3E)-3-(trimethylsilyloxymethylidene)oxolan-2-one?
The canonical SMILES for (3E)-3-(trimethylsilyloxymethylidene)oxolan-2-one is C[Si](C)(C)O/C=C1\CCOC1=O.
What is the InChIKey of (3E)-3-(trimethylsilyloxymethylidene)oxolan-2-one?
The InChIKey is UQZPJRHUXCQEAS-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H14O3Si/c1-12(2,3)11-6-7-4-5-10-8(7)9/h6H,4-5H2,1-3H3/b7-6+.
What are the key properties of (3E)-3-(trimethylsilyloxymethylidene)oxolan-2-one?
(3E)-3-(trimethylsilyloxymethylidene)oxolan-2-one has a molecular weight of 186.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(trimethylsilyloxymethylidene)oxolan-2-one is sourced from PubChem (CID 12712905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).