ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate

C24H32O3Si — CID 11153695

IUPACethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O3Si/c1-7-26-23(25)19(2)18-20(3)27-28(24(4,5)6,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-18,20H,7H2,1-6H3/b19-18+/t20-/m1/s1
InChIKeyIZNZUVFGCDYVHF-LNEUUDGLSA-N
MW396.60 g/mol
LogP4.46
Rot. Bonds7

About ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate

ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate (PubChem CID 11153695) has the molecular formula C24H32O3Si and a molecular weight of 396.60 g/mol. Its IUPAC name is ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate.

Molecular Properties

Compound Nameethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate
PubChem CID11153695
Molecular FormulaC24H32O3Si
Molecular Weight396.60 g/mol
Exact Mass396.21
IUPAC Nameethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O3Si/c1-7-26-23(25)19(2)18-20(3)27-28(24(4,5)6,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-18,20H,7H2,1-6H3/b19-18+/t20-/m1/s1
InChIKeyIZNZUVFGCDYVHF-LNEUUDGLSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876
(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
CID 134941259
ethyl (E,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]-2,5-dimethylhex-2-enoate
CID 11215767
ethyl (6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,6-dimethylhept-2-enoate
CID 90724731
diethyl (3S)-2-bromo-3-[tert-butyl(diphenyl)silyl]oxybutanedioate
CID 177463160
[(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate
CID 101376664
[(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl] acetate
CID 58918269
ethyl (E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-4-oxooct-2-enoate
CID 11080652
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate
CID 140818496
ethyl (E,6S,7S)-8-[tert-butyl(diphenyl)silyl]oxy-2,6-dimethyl-7-phenoxycarbothioyloxyoct-2-enoate
CID 11578024
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
CID 140927189

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate?
The IUPAC name of ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate (CID 11153695) is ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate.
What is the SMILES notation for ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate?
The canonical SMILES for ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate is CCOC(=O)/C(C)=C/[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate?
The InChIKey is IZNZUVFGCDYVHF-LNEUUDGLSA-N. The full InChI is InChI=1S/C24H32O3Si/c1-7-26-23(25)19(2)18-20(3)27-28(24(4,5)6,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-18,20H,7H2,1-6H3/b19-18+/t20-/m1/s1.
What are the key properties of ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate?
ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate has a molecular weight of 396.60 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate is sourced from PubChem (CID 11153695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).