(2E)-3-phenyl-2-(trimethylsilylmethylidene)but-3-enal

C14H18OSi — CID 11264724

IUPAC(2E)-3-phenyl-2-(trimethylsilylmethylidene)but-3-enal
SMILESC=C(/C(C=O)=C\[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C14H18OSi/c1-12(13-8-6-5-7-9-13)14(10-15)11-16(2,3)4/h5-11H,1H2,2-4H3/b14-11-
InChIKeyYAWUNLHXBMSQNK-KAMYIIQDSA-N
MW230.38 g/mol
LogP3.70
Rot. Bonds4

About (2E)-3-phenyl-2-(trimethylsilylmethylidene)but-3-enal

(2E)-3-phenyl-2-(trimethylsilylmethylidene)but-3-enal (PubChem CID 11264724) has the molecular formula C14H18OSi and a molecular weight of 230.38 g/mol. Its IUPAC name is (2E)-3-phenyl-2-(trimethylsilylmethylidene)but-3-enal.

Molecular Properties

Compound Name(2E)-3-phenyl-2-(trimethylsilylmethylidene)but-3-enal
PubChem CID11264724
Molecular FormulaC14H18OSi
Molecular Weight230.38 g/mol
Exact Mass230.11
IUPAC Name(2E)-3-phenyl-2-(trimethylsilylmethylidene)but-3-enal
SMILESC=C(/C(C=O)=C\[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C14H18OSi/c1-12(13-8-6-5-7-9-13)14(10-15)11-16(2,3)4/h5-11H,1H2,2-4H3/b14-11-
InChIKeyYAWUNLHXBMSQNK-KAMYIIQDSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-phenyl-2-(trimethylsilylmethylidene)but-3-enal?
The IUPAC name of (2E)-3-phenyl-2-(trimethylsilylmethylidene)but-3-enal (CID 11264724) is (2E)-3-phenyl-2-(trimethylsilylmethylidene)but-3-enal.
What is the SMILES notation for (2E)-3-phenyl-2-(trimethylsilylmethylidene)but-3-enal?
The canonical SMILES for (2E)-3-phenyl-2-(trimethylsilylmethylidene)but-3-enal is C=C(/C(C=O)=C\[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (2E)-3-phenyl-2-(trimethylsilylmethylidene)but-3-enal?
The InChIKey is YAWUNLHXBMSQNK-KAMYIIQDSA-N. The full InChI is InChI=1S/C14H18OSi/c1-12(13-8-6-5-7-9-13)14(10-15)11-16(2,3)4/h5-11H,1H2,2-4H3/b14-11-.
What are the key properties of (2E)-3-phenyl-2-(trimethylsilylmethylidene)but-3-enal?
(2E)-3-phenyl-2-(trimethylsilylmethylidene)but-3-enal has a molecular weight of 230.38 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-phenyl-2-(trimethylsilylmethylidene)but-3-enal is sourced from PubChem (CID 11264724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).