ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]prop-2-enoate

C18H27FO3Si — CID 174032298

IUPACethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(CO[Si](C)(C)C(C)(C)C)cc1F
InChIInChI=1S/C18H27FO3Si/c1-7-21-17(20)11-10-15-9-8-14(12-16(15)19)13-22-23(5,6)18(2,3)4/h8-12H,7,13H2,1-6H3/b11-10+
InChIKeyZYOLSYBMBGSVHS-ZHACJKMWSA-N
MW338.50 g/mol
LogP4.92
Rot. Bonds6

About ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]prop-2-enoate

ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]prop-2-enoate (PubChem CID 174032298) has the molecular formula C18H27FO3Si and a molecular weight of 338.50 g/mol. Its IUPAC name is ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]prop-2-enoate
PubChem CID174032298
Molecular FormulaC18H27FO3Si
Molecular Weight338.50 g/mol
Exact Mass338.17
IUPAC Nameethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(CO[Si](C)(C)C(C)(C)C)cc1F
InChIInChI=1S/C18H27FO3Si/c1-7-21-17(20)11-10-15-9-8-14(12-16(15)19)13-22-23(5,6)18(2,3)4/h8-12H,7,13H2,1-6H3/b11-10+
InChIKeyZYOLSYBMBGSVHS-ZHACJKMWSA-N
XLogP4.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.92
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-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-fluorophenyl]acetic acid
CID 169480725
ethyl (E)-3-(4-chloro-2-fluorophenyl)prop-2-enoate
CID 11009728
ethyl (E)-3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoate
CID 10825341
(E)-3-[2-amino-5-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-en-1-ol
CID 178189825
2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde
CID 171089629
ethyl (E)-3-(2,5-difluoro-4-methoxyphenyl)prop-2-enoate
CID 59760132
ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate
CID 169480131
methyl 3-[2-fluoro-4-(hydroxymethyl)phenyl]prop-2-enoate
CID 169478909
tert-butyl-dimethyl-[(3-methylphenyl)methoxy]silane
CID 22967275
ethyl (Z)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-ethoxyprop-2-enoate
CID 68995900
ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-ethoxyprop-2-enoate
CID 68995901
tert-butyl-dimethyl-[(3,4,5-trifluorophenyl)methoxy]silane
CID 91735449

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]prop-2-enoate (CID 174032298) is ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(CO[Si](C)(C)C(C)(C)C)cc1F.
What is the InChIKey of ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]prop-2-enoate?
The InChIKey is ZYOLSYBMBGSVHS-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H27FO3Si/c1-7-21-17(20)11-10-15-9-8-14(12-16(15)19)13-22-23(5,6)18(2,3)4/h8-12H,7,13H2,1-6H3/b11-10+.
What are the key properties of ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]prop-2-enoate?
ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]prop-2-enoate has a molecular weight of 338.50 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]prop-2-enoate is sourced from PubChem (CID 174032298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).