ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate

C24H34O4Si — CID 11304558

IUPACethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate
SMILESCCOC(=O)CCc1ccc(OCc2ccccc2)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C24H34O4Si/c1-7-26-23(25)16-14-19-13-15-21(27-18-20-11-9-8-10-12-20)22(17-19)28-29(5,6)24(2,3)4/h8-13,15,17H,7,14,16,18H2,1-6H3
InChIKeyVRZBCOVNVDOHHY-UHFFFAOYSA-N
MW414.62 g/mol
LogP6.15
Rot. Bonds9

About ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate

ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate (PubChem CID 11304558) has the molecular formula C24H34O4Si and a molecular weight of 414.62 g/mol. Its IUPAC name is ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate
PubChem CID11304558
Molecular FormulaC24H34O4Si
Molecular Weight414.62 g/mol
Exact Mass414.22
IUPAC Nameethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate
SMILESCCOC(=O)CCc1ccc(OCc2ccccc2)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C24H34O4Si/c1-7-26-23(25)16-14-19-13-15-21(27-18-20-11-9-8-10-12-20)22(17-19)28-29(5,6)24(2,3)4/h8-13,15,17H,7,14,16,18H2,1-6H3
InChIKeyVRZBCOVNVDOHHY-UHFFFAOYSA-N
XLogP6.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.62
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate
CID 102575732
ethyl 5-[4-phenylmethoxy-3-(quinolin-2-ylmethoxy)phenyl]pentanoate
CID 20597952
3-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenoxy]-4-phenylmethoxyphenyl]propanoic acid
CID 24823856
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
ethyl 3-[benzyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]amino]propanoate
CID 3541865
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
ethyl 3-[3-[5-(3-ethoxy-3-oxopropyl)-2-(2-phenylethoxy)phenyl]-4-hydroxyphenyl]propanoate
CID 54494759
3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
CID 9149869
1-[3,4-bis(phenylmethoxy)phenyl]-6-hydroxyhexan-3-one
CID 157495437
(5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane
CID 59089862
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate?
The IUPAC name of ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate (CID 11304558) is ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate.
What is the SMILES notation for ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate?
The canonical SMILES for ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate is CCOC(=O)CCc1ccc(OCc2ccccc2)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate?
The InChIKey is VRZBCOVNVDOHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4Si/c1-7-26-23(25)16-14-19-13-15-21(27-18-20-11-9-8-10-12-20)22(17-19)28-29(5,6)24(2,3)4/h8-13,15,17H,7,14,16,18H2,1-6H3.
What are the key properties of ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate?
ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate has a molecular weight of 414.62 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate is sourced from PubChem (CID 11304558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).