methyl 3-[4-[diethyl(4-phenylbutyl)silyl]oxyphenoxy]propanoate

C24H34O4Si — CID 102158896

IUPACmethyl 3-[4-[diethyl(4-phenylbutyl)silyl]oxyphenoxy]propanoate
SMILESCC[Si](CC)(CCCCc1ccccc1)Oc1ccc(OCCC(=O)OC)cc1
InChIInChI=1S/C24H34O4Si/c1-4-29(5-2,20-10-9-13-21-11-7-6-8-12-21)28-23-16-14-22(15-17-23)27-19-18-24(25)26-3/h6-8,11-12,14-17H,4-5,9-10,13,18-20H2,1-3H3
InChIKeyLUQFBAMONMEHIS-UHFFFAOYSA-N
MW414.62 g/mol
LogP6.02
Rot. Bonds13

About methyl 3-[4-[diethyl(4-phenylbutyl)silyl]oxyphenoxy]propanoate

methyl 3-[4-[diethyl(4-phenylbutyl)silyl]oxyphenoxy]propanoate (PubChem CID 102158896) has the molecular formula C24H34O4Si and a molecular weight of 414.62 g/mol. Its IUPAC name is methyl 3-[4-[diethyl(4-phenylbutyl)silyl]oxyphenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[diethyl(4-phenylbutyl)silyl]oxyphenoxy]propanoate
PubChem CID102158896
Molecular FormulaC24H34O4Si
Molecular Weight414.62 g/mol
Exact Mass414.22
IUPAC Namemethyl 3-[4-[diethyl(4-phenylbutyl)silyl]oxyphenoxy]propanoate
SMILESCC[Si](CC)(CCCCc1ccccc1)Oc1ccc(OCCC(=O)OC)cc1
InChIInChI=1S/C24H34O4Si/c1-4-29(5-2,20-10-9-13-21-11-7-6-8-12-21)28-23-16-14-22(15-17-23)27-19-18-24(25)26-3/h6-8,11-12,14-17H,4-5,9-10,13,18-20H2,1-3H3
InChIKeyLUQFBAMONMEHIS-UHFFFAOYSA-N
XLogP6.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.62
LogP ≤ 56.02
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'}

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Related Compounds

methyl 3-[[4-[6-(4-phenylmethoxyphenoxy)hexyl]benzoyl]amino]propanoate
CID 67485483
methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-[4-(4-phenoxybutoxy)phenyl]propanoate
CID 67685934
methyl 3-[4-[3-[4-(1-hydroxy-4-phenylbutyl)phenoxy]propoxy]phenyl]propanoate
CID 54295592
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961
methyl 4-oxo-4-[[4-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate
CID 17130313
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
methyl 3-(4-heptoxyphenyl)propanoate
CID 82646253
4-(4-phenylbutoxy)benzamide
CID 11963163
methyl 3-(4-carbamoylphenoxy)propanoate
CID 28879864
methyl 3-[[4-[4-(4-bromophenoxy)butyl]benzoyl]amino]propanoate
CID 67485632
methyl 11-(4-phenylbutylamino)undecanoate
CID 167433431
methyl 4-[4-(3-oxobutyl)phenoxy]butanoate
CID 43378030

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[diethyl(4-phenylbutyl)silyl]oxyphenoxy]propanoate?
The IUPAC name of methyl 3-[4-[diethyl(4-phenylbutyl)silyl]oxyphenoxy]propanoate (CID 102158896) is methyl 3-[4-[diethyl(4-phenylbutyl)silyl]oxyphenoxy]propanoate.
What is the SMILES notation for methyl 3-[4-[diethyl(4-phenylbutyl)silyl]oxyphenoxy]propanoate?
The canonical SMILES for methyl 3-[4-[diethyl(4-phenylbutyl)silyl]oxyphenoxy]propanoate is CC[Si](CC)(CCCCc1ccccc1)Oc1ccc(OCCC(=O)OC)cc1.
What is the InChIKey of methyl 3-[4-[diethyl(4-phenylbutyl)silyl]oxyphenoxy]propanoate?
The InChIKey is LUQFBAMONMEHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4Si/c1-4-29(5-2,20-10-9-13-21-11-7-6-8-12-21)28-23-16-14-22(15-17-23)27-19-18-24(25)26-3/h6-8,11-12,14-17H,4-5,9-10,13,18-20H2,1-3H3.
What are the key properties of methyl 3-[4-[diethyl(4-phenylbutyl)silyl]oxyphenoxy]propanoate?
methyl 3-[4-[diethyl(4-phenylbutyl)silyl]oxyphenoxy]propanoate has a molecular weight of 414.62 g/mol, XLogP of 6.02, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[diethyl(4-phenylbutyl)silyl]oxyphenoxy]propanoate is sourced from PubChem (CID 102158896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).