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'}

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde
CID 18352505
tert-butyl 2-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]-2-cyclohexylphenoxy]-2-methylpropanoate
CID 90897796
tert-butyl 3-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 68895336
tert-butyl (E)-3-(3-amino-4-methoxyphenyl)prop-2-enoate
CID 42640186
tert-butyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 44571369
tert-butyl (E)-3-(3-bromo-4-fluorophenyl)prop-2-enoate
CID 129491127
2-piperidin-4-ylpropan-2-yl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
CID 155075540
tert-butyl 3-(4-formylphenyl)prop-2-enoate
CID 54147604
tert-butyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 11458639
(1E,6E)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 71314377
[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl] (E)-3-[3,4-bis(methoxymethoxy)phenyl]prop-2-enoate
CID 176849429
3-[4-[3-(1-adamantyl)-4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]prop-2-enoic acid
CID 90907725

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).