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

C20H32O4Si — CID 68995901

IUPACethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-ethoxyprop-2-enoate
SMILESCCOC(=O)/C(=C\c1ccc(CO[Si](C)(C)C(C)(C)C)cc1)OCC
InChIInChI=1S/C20H32O4Si/c1-8-22-18(19(21)23-9-2)14-16-10-12-17(13-11-16)15-24-25(6,7)20(3,4)5/h10-14H,8-9,15H2,1-7H3/b18-14+
InChIKeyZBAYBKDJWRTXAG-NBVRZTHBSA-N
MW364.56 g/mol
LogP5.15
Rot. Bonds8

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

ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-ethoxyprop-2-enoate (PubChem CID 68995901) has the molecular formula C20H32O4Si and a molecular weight of 364.56 g/mol. Its IUPAC name is ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-ethoxyprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-ethoxyprop-2-enoate
PubChem CID68995901
Molecular FormulaC20H32O4Si
Molecular Weight364.56 g/mol
Exact Mass364.21
IUPAC Nameethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-ethoxyprop-2-enoate
SMILESCCOC(=O)/C(=C\c1ccc(CO[Si](C)(C)C(C)(C)C)cc1)OCC
InChIInChI=1S/C20H32O4Si/c1-8-22-18(19(21)23-9-2)14-16-10-12-17(13-11-16)15-24-25(6,7)20(3,4)5/h10-14H,8-9,15H2,1-7H3/b18-14+
InChIKeyZBAYBKDJWRTXAG-NBVRZTHBSA-N
XLogP5.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.56
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-ethoxyprop-2-enoate
CID 68995900
ethyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]butanoate
CID 67588790
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one
CID 159418209
ethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-methyltriazole-4-carboxylate
CID 167438832
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
2-ethoxy-3-(4-ethylphenyl)prop-2-enoic acid
CID 139651424
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 12018888
tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane
CID 42600508
ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]prop-2-enoate
CID 174032298
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-ethoxyprop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-ethoxyprop-2-enoate (CID 68995901) is ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-ethoxyprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-ethoxyprop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-ethoxyprop-2-enoate is CCOC(=O)/C(=C\c1ccc(CO[Si](C)(C)C(C)(C)C)cc1)OCC.
What is the InChIKey of ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-ethoxyprop-2-enoate?
The InChIKey is ZBAYBKDJWRTXAG-NBVRZTHBSA-N. The full InChI is InChI=1S/C20H32O4Si/c1-8-22-18(19(21)23-9-2)14-16-10-12-17(13-11-16)15-24-25(6,7)20(3,4)5/h10-14H,8-9,15H2,1-7H3/b18-14+.
What are the key properties of ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-ethoxyprop-2-enoate?
ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-ethoxyprop-2-enoate has a molecular weight of 364.56 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-ethoxyprop-2-enoate is sourced from PubChem (CID 68995901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).