[(E,2S)-4-[tert-butyl(diphenyl)silyl]but-3-en-2-yl] 2-methoxyacetate

C23H30O3Si — CID 15049408

IUPAC[(E,2S)-4-[tert-butyl(diphenyl)silyl]but-3-en-2-yl] 2-methoxyacetate
SMILESCOCC(=O)O[C@@H](C)/C=C/[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H30O3Si/c1-19(26-22(24)18-25-5)16-17-27(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-17,19H,18H2,1-5H3/b17-16+/t19-/m0/s1
InChIKeyPNTNQHZZKRKSSN-PIOKWQJESA-N
MW382.58 g/mol
LogP3.72
Rot. Bonds7

About [(E,2S)-4-[tert-butyl(diphenyl)silyl]but-3-en-2-yl] 2-methoxyacetate

[(E,2S)-4-[tert-butyl(diphenyl)silyl]but-3-en-2-yl] 2-methoxyacetate (PubChem CID 15049408) has the molecular formula C23H30O3Si and a molecular weight of 382.58 g/mol. Its IUPAC name is [(E,2S)-4-[tert-butyl(diphenyl)silyl]but-3-en-2-yl] 2-methoxyacetate.

Molecular Properties

Compound Name[(E,2S)-4-[tert-butyl(diphenyl)silyl]but-3-en-2-yl] 2-methoxyacetate
PubChem CID15049408
Molecular FormulaC23H30O3Si
Molecular Weight382.58 g/mol
Exact Mass382.20
IUPAC Name[(E,2S)-4-[tert-butyl(diphenyl)silyl]but-3-en-2-yl] 2-methoxyacetate
SMILESCOCC(=O)O[C@@H](C)/C=C/[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H30O3Si/c1-19(26-22(24)18-25-5)16-17-27(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-17,19H,18H2,1-5H3/b17-16+/t19-/m0/s1
InChIKeyPNTNQHZZKRKSSN-PIOKWQJESA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.58
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[tert-butyl(diphenyl)silyl]-1-phenylprop-2-en-1-one
CID 102342624
[(Z)-1-phenylbut-2-enyl] 2-methoxyacetate
CID 15261942
(E)-1-[tert-butyl(diphenyl)silyl]oct-1-en-3-ol
CID 101387251
[(E,2S)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-yl] hex-5-enoate
CID 102211153
12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate
CID 10907379
(2-chlorophenyl) 2-methoxyacetate
CID 542147
[diacetyloxy(phenyl)silyl] 2-methoxyacetate
CID 67232627
[(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate
CID 101376664
methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876
ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate
CID 11153695

Frequently Asked Questions

What is the IUPAC name of [(E,2S)-4-[tert-butyl(diphenyl)silyl]but-3-en-2-yl] 2-methoxyacetate?
The IUPAC name of [(E,2S)-4-[tert-butyl(diphenyl)silyl]but-3-en-2-yl] 2-methoxyacetate (CID 15049408) is [(E,2S)-4-[tert-butyl(diphenyl)silyl]but-3-en-2-yl] 2-methoxyacetate.
What is the SMILES notation for [(E,2S)-4-[tert-butyl(diphenyl)silyl]but-3-en-2-yl] 2-methoxyacetate?
The canonical SMILES for [(E,2S)-4-[tert-butyl(diphenyl)silyl]but-3-en-2-yl] 2-methoxyacetate is COCC(=O)O[C@@H](C)/C=C/[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(E,2S)-4-[tert-butyl(diphenyl)silyl]but-3-en-2-yl] 2-methoxyacetate?
The InChIKey is PNTNQHZZKRKSSN-PIOKWQJESA-N. The full InChI is InChI=1S/C23H30O3Si/c1-19(26-22(24)18-25-5)16-17-27(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-17,19H,18H2,1-5H3/b17-16+/t19-/m0/s1.
What are the key properties of [(E,2S)-4-[tert-butyl(diphenyl)silyl]but-3-en-2-yl] 2-methoxyacetate?
[(E,2S)-4-[tert-butyl(diphenyl)silyl]but-3-en-2-yl] 2-methoxyacetate has a molecular weight of 382.58 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2S)-4-[tert-butyl(diphenyl)silyl]but-3-en-2-yl] 2-methoxyacetate is sourced from PubChem (CID 15049408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).