[(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'}

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

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

Launch Full Analysis

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).