[ethenyl(dimethyl)silyl]methyl (2E,4Z)-2-cyano-5-phenylpenta-2,4-dienoate

C17H19NO2Si — CID 124629224

IUPAC[ethenyl(dimethyl)silyl]methyl (2E,4Z)-2-cyano-5-phenylpenta-2,4-dienoate
SMILESC=C[Si](C)(C)COC(=O)/C(C#N)=C/C=C\c1ccccc1
InChIInChI=1S/C17H19NO2Si/c1-4-21(2,3)14-20-17(19)16(13-18)12-8-11-15-9-6-5-7-10-15/h4-12H,1,14H2,2-3H3/b11-8-,16-12+
InChIKeyRNQRADIVJDJMQR-HLHGXTSASA-N
MW297.43 g/mol
LogP3.67
Rot. Bonds6

About [ethenyl(dimethyl)silyl]methyl (2E,4Z)-2-cyano-5-phenylpenta-2,4-dienoate

[ethenyl(dimethyl)silyl]methyl (2E,4Z)-2-cyano-5-phenylpenta-2,4-dienoate (PubChem CID 124629224) has the molecular formula C17H19NO2Si and a molecular weight of 297.43 g/mol. Its IUPAC name is [ethenyl(dimethyl)silyl]methyl (2E,4Z)-2-cyano-5-phenylpenta-2,4-dienoate.

Molecular Properties

Compound Name[ethenyl(dimethyl)silyl]methyl (2E,4Z)-2-cyano-5-phenylpenta-2,4-dienoate
PubChem CID124629224
Molecular FormulaC17H19NO2Si
Molecular Weight297.43 g/mol
Exact Mass297.12
IUPAC Name[ethenyl(dimethyl)silyl]methyl (2E,4Z)-2-cyano-5-phenylpenta-2,4-dienoate
SMILESC=C[Si](C)(C)COC(=O)/C(C#N)=C/C=C\c1ccccc1
InChIInChI=1S/C17H19NO2Si/c1-4-21(2,3)14-20-17(19)16(13-18)12-8-11-15-9-6-5-7-10-15/h4-12H,1,14H2,2-3H3/b11-8-,16-12+
InChIKeyRNQRADIVJDJMQR-HLHGXTSASA-N
XLogP3.67
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', '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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Related Compounds

octyl 2-cyano-5-phenylpenta-2,4-dienoate
CID 72606542
(2Z,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide
CID 2343498
(2E,4E)-2-(4-fluorobenzoyl)-5-phenylpenta-2,4-dienenitrile
CID 9337821
(2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide
CID 6076664
2-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpenta-2,4-dienamide
CID 171333357
(2E,4E)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-5-phenylpenta-2,4-dienamide
CID 126392520
2-[(E)-2-cyano-3-phenylprop-2-enoyl]oxyethyl (E)-2-cyano-3-phenylprop-2-enoate
CID 2426764
5-(4-butoxyphenyl)-2-cyanopenta-2,4-dienoic acid
CID 54015737
(2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile
CID 12034343
methyl (2E,4E)-2-cyano-5-[4-(dimethylamino)phenyl]penta-2,4-dienoate
CID 20823475
methyl 5-(2-cyano-5-phenylpenta-2,4-dienoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 704170
prop-2-enyl 2-cyanohexa-2,4-dienoate
CID 86166593

Frequently Asked Questions

What is the IUPAC name of [ethenyl(dimethyl)silyl]methyl (2E,4Z)-2-cyano-5-phenylpenta-2,4-dienoate?
The IUPAC name of [ethenyl(dimethyl)silyl]methyl (2E,4Z)-2-cyano-5-phenylpenta-2,4-dienoate (CID 124629224) is [ethenyl(dimethyl)silyl]methyl (2E,4Z)-2-cyano-5-phenylpenta-2,4-dienoate.
What is the SMILES notation for [ethenyl(dimethyl)silyl]methyl (2E,4Z)-2-cyano-5-phenylpenta-2,4-dienoate?
The canonical SMILES for [ethenyl(dimethyl)silyl]methyl (2E,4Z)-2-cyano-5-phenylpenta-2,4-dienoate is C=C[Si](C)(C)COC(=O)/C(C#N)=C/C=C\c1ccccc1.
What is the InChIKey of [ethenyl(dimethyl)silyl]methyl (2E,4Z)-2-cyano-5-phenylpenta-2,4-dienoate?
The InChIKey is RNQRADIVJDJMQR-HLHGXTSASA-N. The full InChI is InChI=1S/C17H19NO2Si/c1-4-21(2,3)14-20-17(19)16(13-18)12-8-11-15-9-6-5-7-10-15/h4-12H,1,14H2,2-3H3/b11-8-,16-12+.
What are the key properties of [ethenyl(dimethyl)silyl]methyl (2E,4Z)-2-cyano-5-phenylpenta-2,4-dienoate?
[ethenyl(dimethyl)silyl]methyl (2E,4Z)-2-cyano-5-phenylpenta-2,4-dienoate has a molecular weight of 297.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethenyl(dimethyl)silyl]methyl (2E,4Z)-2-cyano-5-phenylpenta-2,4-dienoate is sourced from PubChem (CID 124629224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).