ethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate

C17H24O2Si — CID 164685697

IUPACethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate
SMILESCCOC(=O)[C@@H](C)C(=C=Cc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C17H24O2Si/c1-6-19-17(18)14(2)16(20(3,4)5)13-12-15-10-8-7-9-11-15/h7-12,14H,6H2,1-5H3/t13?,14-/m0/s1
InChIKeyCPHKLYQFFWAMSO-KZUDCZAMSA-N
MW288.46 g/mol
LogP4.30
Rot. Bonds5

About ethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate

ethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate (PubChem CID 164685697) has the molecular formula C17H24O2Si and a molecular weight of 288.46 g/mol. Its IUPAC name is ethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate.

Molecular Properties

Compound Nameethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate
PubChem CID164685697
Molecular FormulaC17H24O2Si
Molecular Weight288.46 g/mol
Exact Mass288.15
IUPAC Nameethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate
SMILESCCOC(=O)[C@@H](C)C(=C=Cc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C17H24O2Si/c1-6-19-17(18)14(2)16(20(3,4)5)13-12-15-10-8-7-9-11-15/h7-12,14H,6H2,1-5H3/t13?,14-/m0/s1
InChIKeyCPHKLYQFFWAMSO-KZUDCZAMSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene-1,2-diol;diethyl 2-methylpropanedioate
CID 174542693
ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate
CID 134863157
ethyl (E)-2-[dimethyl(propan-2-yloxy)silyl]-4-phenylbut-3-enoate
CID 10494896
3-trimethylsilylprop-2-ynyl 2-(2-phenylethenylidene)pentanoate
CID 102323356
ethyl (E,2S)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 56851553
ethyl 2-methylbutanoate;styrene
CID 91021086
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
ethyl 2-cyano-5-phenylpent-4-enoate
CID 72737820
ethyl (2S)-2-phenylpropanoate
CID 7204861
diethyl 2-(3-phenylprop-2-enoylamino)propanedioate
CID 141472099
diethyl 2-[(Z)-3-chloro-4-phenylbut-3-en-2-yl]propanedioate
CID 10687468

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate?
The IUPAC name of ethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate (CID 164685697) is ethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate.
What is the SMILES notation for ethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate?
The canonical SMILES for ethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate is CCOC(=O)[C@@H](C)C(=C=Cc1ccccc1)[Si](C)(C)C.
What is the InChIKey of ethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate?
The InChIKey is CPHKLYQFFWAMSO-KZUDCZAMSA-N. The full InChI is InChI=1S/C17H24O2Si/c1-6-19-17(18)14(2)16(20(3,4)5)13-12-15-10-8-7-9-11-15/h7-12,14H,6H2,1-5H3/t13?,14-/m0/s1.
What are the key properties of ethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate?
ethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate has a molecular weight of 288.46 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate is sourced from PubChem (CID 164685697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).