methyl (E)-5-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-3-phenylpent-4-enoate

C20H32O2Si — CID 101122467

IUPACmethyl (E)-5-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-3-phenylpent-4-enoate
SMILESCOC(=O)C(C)(C)C(/C=C/[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H32O2Si/c1-19(2,3)23(7,8)15-14-17(16-12-10-9-11-13-16)20(4,5)18(21)22-6/h9-15,17H,1-8H3/b15-14+
InChIKeyCQUCITCGNPYWGJ-CCEZHUSRSA-N
MW332.56 g/mol
LogP5.57
Rot. Bonds5

About methyl (E)-5-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-3-phenylpent-4-enoate

methyl (E)-5-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-3-phenylpent-4-enoate (PubChem CID 101122467) has the molecular formula C20H32O2Si and a molecular weight of 332.56 g/mol. Its IUPAC name is methyl (E)-5-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-3-phenylpent-4-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-3-phenylpent-4-enoate
PubChem CID101122467
Molecular FormulaC20H32O2Si
Molecular Weight332.56 g/mol
Exact Mass332.22
IUPAC Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-3-phenylpent-4-enoate
SMILESCOC(=O)C(C)(C)C(/C=C/[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H32O2Si/c1-19(2,3)23(7,8)15-14-17(16-12-10-9-11-13-16)20(4,5)18(21)22-6/h9-15,17H,1-8H3/b15-14+
InChIKeyCQUCITCGNPYWGJ-CCEZHUSRSA-N
XLogP5.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.56
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl (E)-5-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-3-phenylpent-4-enoate 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

(E)-3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-en-1-ol
CID 10922912
methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride
CID 14426986
methyl (2S,3S)-2,3-dihydroxy-2-methyl-3-phenylpropanoate
CID 13435156
2,2-dimethyl-3-phenyl-3-trimethylsilylpropanoic acid
CID 174920111
methyl (E)-3,5-bis[4-(dimethylamino)phenyl]-2,2-dimethylpent-4-enoate
CID 56837508
methyl 2,2,3-trimethyl-4-phenylhexanoate
CID 155280423
methyl 3-(5,6-dichloro-3-pyridinyl)-2,2-dimethyl-3-phenylpropanoate
CID 59138668
methyl (3S)-3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-2,2-dimethyl-3-phenylpropanoate
CID 101204640
methyl 2-acetamido-3-hydroxy-2-methyl-3-phenylpropanoate
CID 3841586
methyl 2-methyl-2-(1-phenylethyl)but-3-enoate
CID 174886217
methyl (3R)-3-amino-2,2-dimethyl-3-(3-phenylphenyl)propanoate;hydrochloride
CID 171244491
methyl 2-ethyl-2-[(R)-hydroxy(phenyl)methyl]butanoate
CID 10561798

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-3-phenylpent-4-enoate?
The IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-3-phenylpent-4-enoate (CID 101122467) is methyl (E)-5-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-3-phenylpent-4-enoate.
What is the SMILES notation for methyl (E)-5-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-3-phenylpent-4-enoate?
The canonical SMILES for methyl (E)-5-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-3-phenylpent-4-enoate is COC(=O)C(C)(C)C(/C=C/[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of methyl (E)-5-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-3-phenylpent-4-enoate?
The InChIKey is CQUCITCGNPYWGJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C20H32O2Si/c1-19(2,3)23(7,8)15-14-17(16-12-10-9-11-13-16)20(4,5)18(21)22-6/h9-15,17H,1-8H3/b15-14+.
What are the key properties of methyl (E)-5-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-3-phenylpent-4-enoate?
methyl (E)-5-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-3-phenylpent-4-enoate has a molecular weight of 332.56 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-3-phenylpent-4-enoate is sourced from PubChem (CID 101122467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).