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

C20H32O3Si — CID 102331027

IUPACethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpent-4-enoate
SMILESCCOC(=O)CC(C)/C=C(/O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H32O3Si/c1-8-22-19(21)15-16(2)14-18(17-12-10-9-11-13-17)23-24(6,7)20(3,4)5/h9-14,16H,8,15H2,1-7H3/b18-14+
InChIKeyBGTYHPYNPRORBH-NBVRZTHBSA-N
MW348.56 g/mol
LogP5.64
Rot. Bonds7

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

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpent-4-enoate (PubChem CID 102331027) has the molecular formula C20H32O3Si and a molecular weight of 348.56 g/mol. Its IUPAC name is ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpent-4-enoate.

Molecular Properties

Compound Nameethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpent-4-enoate
PubChem CID102331027
Molecular FormulaC20H32O3Si
Molecular Weight348.56 g/mol
Exact Mass348.21
IUPAC Nameethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpent-4-enoate
SMILESCCOC(=O)CC(C)/C=C(/O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H32O3Si/c1-8-22-19(21)15-16(2)14-18(17-12-10-9-11-13-17)23-24(6,7)20(3,4)5/h9-14,16H,8,15H2,1-7H3/b18-14+
InChIKeyBGTYHPYNPRORBH-NBVRZTHBSA-N
XLogP5.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.56
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(1Z)-3,7-dimethyl-1-phenylocta-1,6-dienoxy]-dimethylsilane
CID 14710921
tert-butyl-dimethyl-[(Z)-1-phenylprop-1-enoxy]silane
CID 10377349
diethyl 2-[(Z)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2-ethynylpropanedioate
CID 101002395
tert-butyl-[(Z)-1,2-diphenylethenoxy]-dimethylsilane
CID 10358065
ethyl (Z)-6-(diethylamino)-3-methyl-6-oxo-5-phenylhex-4-enoate
CID 177415041
ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate
CID 11844681
ethyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpentanoate
CID 102382083
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate
CID 11222352
tert-butyl-dimethyl-[(Z)-1-phenyl-2-(trifluoromethoxy)ethenoxy]silane
CID 135012556
ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate
CID 134952080
[tert-butyl(dimethyl)silyl] 2-phenylacetate
CID 528591
tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane
CID 134979892

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpent-4-enoate?
The IUPAC name of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpent-4-enoate (CID 102331027) is ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpent-4-enoate.
What is the SMILES notation for ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpent-4-enoate?
The canonical SMILES for ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpent-4-enoate is CCOC(=O)CC(C)/C=C(/O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpent-4-enoate?
The InChIKey is BGTYHPYNPRORBH-NBVRZTHBSA-N. The full InChI is InChI=1S/C20H32O3Si/c1-8-22-19(21)15-16(2)14-18(17-12-10-9-11-13-17)23-24(6,7)20(3,4)5/h9-14,16H,8,15H2,1-7H3/b18-14+.
What are the key properties of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpent-4-enoate?
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpent-4-enoate has a molecular weight of 348.56 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpent-4-enoate is sourced from PubChem (CID 102331027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).