ethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenyl]oct-2-enoate

C24H40O4Si — CID 54227728

IUPACethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenyl]oct-2-enoate
SMILESCCCCCC(=CC(=O)OCC)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1OC
InChIInChI=1S/C24H40O4Si/c1-9-11-12-13-20(17-23(25)27-10-2)21-15-14-19(16-22(21)26-6)18-28-29(7,8)24(3,4)5/h14-17H,9-13,18H2,1-8H3
InChIKeyQHAWHEGMBZXOCX-UHFFFAOYSA-N
MW420.67 g/mol
LogP6.74
Rot. Bonds11

About ethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenyl]oct-2-enoate

ethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenyl]oct-2-enoate (PubChem CID 54227728) has the molecular formula C24H40O4Si and a molecular weight of 420.67 g/mol. Its IUPAC name is ethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenyl]oct-2-enoate.

Molecular Properties

Compound Nameethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenyl]oct-2-enoate
PubChem CID54227728
Molecular FormulaC24H40O4Si
Molecular Weight420.67 g/mol
Exact Mass420.27
IUPAC Nameethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenyl]oct-2-enoate
SMILESCCCCCC(=CC(=O)OCC)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1OC
InChIInChI=1S/C24H40O4Si/c1-9-11-12-13-20(17-23(25)27-10-2)21-15-14-19(16-22(21)26-6)18-28-29(7,8)24(3,4)5/h14-17H,9-13,18H2,1-8H3
InChIKeyQHAWHEGMBZXOCX-UHFFFAOYSA-N
XLogP6.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.67
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one
CID 46938474
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxybenzaldehyde
CID 19348493
(E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid
CID 10516728
ethyl (E)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]prop-2-enoate
CID 174032298
ethyl 5-[(Z)-1-ethoxy-1-oxooct-2-en-3-yl]-2-methylfuran-3-carboxylate
CID 177389872
ethyl 3-[4-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethyl]thiophen-2-yl]pent-2-enoate
CID 90856773
tert-butyl-[(3-methoxy-4-propan-2-ylphenyl)methoxy]-dimethylsilane
CID 174039904
(4-ethoxy-3-methoxyphenyl)methyl hexanoate
CID 78841902
ethyl 3-[(E)-1-ethoxy-1-oxonon-2-en-3-yl]benzoate
CID 102250645
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
ethyl 3-[(Z)-1-ethoxy-1-oxonon-2-en-3-yl]benzoate
CID 102250644

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenyl]oct-2-enoate?
The IUPAC name of ethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenyl]oct-2-enoate (CID 54227728) is ethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenyl]oct-2-enoate.
What is the SMILES notation for ethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenyl]oct-2-enoate?
The canonical SMILES for ethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenyl]oct-2-enoate is CCCCCC(=CC(=O)OCC)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1OC.
What is the InChIKey of ethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenyl]oct-2-enoate?
The InChIKey is QHAWHEGMBZXOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O4Si/c1-9-11-12-13-20(17-23(25)27-10-2)21-15-14-19(16-22(21)26-6)18-28-29(7,8)24(3,4)5/h14-17H,9-13,18H2,1-8H3.
What are the key properties of ethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenyl]oct-2-enoate?
ethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenyl]oct-2-enoate has a molecular weight of 420.67 g/mol, XLogP of 6.74, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyphenyl]oct-2-enoate is sourced from PubChem (CID 54227728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).