(3E)-1-methoxy-3-(trimethylsilylmethylidene)hex-5-en-2-one

C11H20O2Si — CID 5366348

IUPAC(3E)-1-methoxy-3-(trimethylsilylmethylidene)hex-5-en-2-one
SMILESC=CC/C(=C\[Si](C)(C)C)C(=O)COC
InChIInChI=1S/C11H20O2Si/c1-6-7-10(9-14(3,4)5)11(12)8-13-2/h6,9H,1,7-8H2,2-5H3/b10-9+
InChIKeyIFLYKIAGOPCLFC-MDZDMXLPSA-N
MW212.36 g/mol
LogP2.58
Rot. Bonds6

About (3E)-1-methoxy-3-(trimethylsilylmethylidene)hex-5-en-2-one

(3E)-1-methoxy-3-(trimethylsilylmethylidene)hex-5-en-2-one (PubChem CID 5366348) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is (3E)-1-methoxy-3-(trimethylsilylmethylidene)hex-5-en-2-one.

Molecular Properties

Compound Name(3E)-1-methoxy-3-(trimethylsilylmethylidene)hex-5-en-2-one
PubChem CID5366348
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name(3E)-1-methoxy-3-(trimethylsilylmethylidene)hex-5-en-2-one
SMILESC=CC/C(=C\[Si](C)(C)C)C(=O)COC
InChIInChI=1S/C11H20O2Si/c1-6-7-10(9-14(3,4)5)11(12)8-13-2/h6,9H,1,7-8H2,2-5H3/b10-9+
InChIKeyIFLYKIAGOPCLFC-MDZDMXLPSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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)-1-methoxy-3-(trimethylsilylmethylidene)hex-5-en-2-one?
The IUPAC name of (3E)-1-methoxy-3-(trimethylsilylmethylidene)hex-5-en-2-one (CID 5366348) is (3E)-1-methoxy-3-(trimethylsilylmethylidene)hex-5-en-2-one.
What is the SMILES notation for (3E)-1-methoxy-3-(trimethylsilylmethylidene)hex-5-en-2-one?
The canonical SMILES for (3E)-1-methoxy-3-(trimethylsilylmethylidene)hex-5-en-2-one is C=CC/C(=C\[Si](C)(C)C)C(=O)COC.
What is the InChIKey of (3E)-1-methoxy-3-(trimethylsilylmethylidene)hex-5-en-2-one?
The InChIKey is IFLYKIAGOPCLFC-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-6-7-10(9-14(3,4)5)11(12)8-13-2/h6,9H,1,7-8H2,2-5H3/b10-9+.
What are the key properties of (3E)-1-methoxy-3-(trimethylsilylmethylidene)hex-5-en-2-one?
(3E)-1-methoxy-3-(trimethylsilylmethylidene)hex-5-en-2-one has a molecular weight of 212.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-methoxy-3-(trimethylsilylmethylidene)hex-5-en-2-one is sourced from PubChem (CID 5366348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).