tert-butyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylphenyl]prop-2-enoate

C24H38O3Si — CID 18352482

IUPACtert-butyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylphenyl]prop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/c1ccc(O[Si](C)(C)C(C)(C)C)c(C2CCCC2)c1
InChIInChI=1S/C24H38O3Si/c1-23(2,3)26-22(25)16-14-18-13-15-21(27-28(7,8)24(4,5)6)20(17-18)19-11-9-10-12-19/h13-17,19H,9-12H2,1-8H3/b16-14+
InChIKeyWFJHTZAGHUMXHI-JQIJEIRASA-N
MW402.65 g/mol
LogP7.08
Rot. Bonds5

About tert-butyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylphenyl]prop-2-enoate

tert-butyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylphenyl]prop-2-enoate (PubChem CID 18352482) has the molecular formula C24H38O3Si and a molecular weight of 402.65 g/mol. Its IUPAC name is tert-butyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylphenyl]prop-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylphenyl]prop-2-enoate
PubChem CID18352482
Molecular FormulaC24H38O3Si
Molecular Weight402.65 g/mol
Exact Mass402.26
IUPAC Nametert-butyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylphenyl]prop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/c1ccc(O[Si](C)(C)C(C)(C)C)c(C2CCCC2)c1
InChIInChI=1S/C24H38O3Si/c1-23(2,3)26-22(25)16-14-18-13-15-21(27-28(7,8)24(4,5)6)20(17-18)19-11-9-10-12-19/h13-17,19H,9-12H2,1-8H3/b16-14+
InChIKeyWFJHTZAGHUMXHI-JQIJEIRASA-N
XLogP7.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.65
LogP ≤ 57.08
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'}

Analyze tert-butyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylphenyl]prop-2-enoate 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 tert-butyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylphenyl]prop-2-enoate?
The IUPAC name of tert-butyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylphenyl]prop-2-enoate (CID 18352482) is tert-butyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylphenyl]prop-2-enoate.
What is the SMILES notation for tert-butyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylphenyl]prop-2-enoate?
The canonical SMILES for tert-butyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylphenyl]prop-2-enoate is CC(C)(C)OC(=O)/C=C/c1ccc(O[Si](C)(C)C(C)(C)C)c(C2CCCC2)c1.
What is the InChIKey of tert-butyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylphenyl]prop-2-enoate?
The InChIKey is WFJHTZAGHUMXHI-JQIJEIRASA-N. The full InChI is InChI=1S/C24H38O3Si/c1-23(2,3)26-22(25)16-14-18-13-15-21(27-28(7,8)24(4,5)6)20(17-18)19-11-9-10-12-19/h13-17,19H,9-12H2,1-8H3/b16-14+.
What are the key properties of tert-butyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylphenyl]prop-2-enoate?
tert-butyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylphenyl]prop-2-enoate has a molecular weight of 402.65 g/mol, XLogP of 7.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylphenyl]prop-2-enoate is sourced from PubChem (CID 18352482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).