methyl 4-[[4-[[ethenyl(dimethyl)silyl]methoxycarbonyl]phenyl]-[5-[[ethenyl(dimethyl)silyl]methoxy]-2-(4-methoxycarbonylphenoxy)phenyl]methyl]benzoate

C40H44O8Si2 — CID 70600987

IUPACmethyl 4-[[4-[[ethenyl(dimethyl)silyl]methoxycarbonyl]phenyl]-[5-[[ethenyl(dimethyl)silyl]methoxy]-2-(4-methoxycarbonylphenoxy)phenyl]methyl]benzoate
SMILESC=C[Si](C)(C)COC(=O)c1ccc(C(c2ccc(C(=O)OC)cc2)c2cc(OC[Si](C)(C)C=C)ccc2Oc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C40H44O8Si2/c1-9-49(5,6)26-46-34-23-24-36(48-33-21-19-31(20-22-33)39(42)45-4)35(25-34)37(28-11-15-30(16-12-28)38(41)44-3)29-13-17-32(18-14-29)40(43)47-27-50(7,8)10-2/h9-25,37H,1-2,26-27H2,3-8H3
InChIKeyIKXIZEPUKBOZPT-UHFFFAOYSA-N
MW708.96 g/mol
LogP8.71
Rot. Bonds15

About methyl 4-[[4-[[ethenyl(dimethyl)silyl]methoxycarbonyl]phenyl]-[5-[[ethenyl(dimethyl)silyl]methoxy]-2-(4-methoxycarbonylphenoxy)phenyl]methyl]benzoate

methyl 4-[[4-[[ethenyl(dimethyl)silyl]methoxycarbonyl]phenyl]-[5-[[ethenyl(dimethyl)silyl]methoxy]-2-(4-methoxycarbonylphenoxy)phenyl]methyl]benzoate (PubChem CID 70600987) has the molecular formula C40H44O8Si2 and a molecular weight of 708.96 g/mol. Its IUPAC name is methyl 4-[[4-[[ethenyl(dimethyl)silyl]methoxycarbonyl]phenyl]-[5-[[ethenyl(dimethyl)silyl]methoxy]-2-(4-methoxycarbonylphenoxy)phenyl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[[ethenyl(dimethyl)silyl]methoxycarbonyl]phenyl]-[5-[[ethenyl(dimethyl)silyl]methoxy]-2-(4-methoxycarbonylphenoxy)phenyl]methyl]benzoate
PubChem CID70600987
Molecular FormulaC40H44O8Si2
Molecular Weight708.96 g/mol
Exact Mass708.26
IUPAC Namemethyl 4-[[4-[[ethenyl(dimethyl)silyl]methoxycarbonyl]phenyl]-[5-[[ethenyl(dimethyl)silyl]methoxy]-2-(4-methoxycarbonylphenoxy)phenyl]methyl]benzoate
SMILESC=C[Si](C)(C)COC(=O)c1ccc(C(c2ccc(C(=O)OC)cc2)c2cc(OC[Si](C)(C)C=C)ccc2Oc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C40H44O8Si2/c1-9-49(5,6)26-46-34-23-24-36(48-33-21-19-31(20-22-33)39(42)45-4)35(25-34)37(28-11-15-30(16-12-28)38(41)44-3)29-13-17-32(18-14-29)40(43)47-27-50(7,8)10-2/h9-25,37H,1-2,26-27H2,3-8H3
InChIKeyIKXIZEPUKBOZPT-UHFFFAOYSA-N
XLogP8.71
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.96
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze methyl 4-[[4-[[ethenyl(dimethyl)silyl]methoxycarbonyl]phenyl]-[5-[[ethenyl(dimethyl)silyl]methoxy]-2-(4-methoxycarbonylphenoxy)phenyl]methyl]benzoate with MolForge

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Related Compounds

4-[[ethenyl(dimethyl)silyl]methoxy]benzoyl chloride
CID 23455511
methyl 4-[[5,8,11,20-tetrakis(4-methoxycarbonylphenoxy)-2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaenyl]oxy]benzoate
CID 44542692
methyl 4-[(1S)-2-amino-1-hydroxyethyl]benzoate
CID 94590796
methyl 4-[4-(4-methoxycarbonylphenoxy)-3-methylphenoxy]benzoate
CID 161428030
methyl 4-[(1S)-1-hydroxy-2,2-dimethylbut-3-enyl]benzoate
CID 101471221
methyl 4-[4-oxo-7-(2-oxo-2-prop-2-enoxyethoxy)chromen-3-yl]oxybenzoate
CID 2000754
methyl 4-[(1R)-1-aminoprop-2-enyl]benzoate;hydrochloride
CID 171212672
methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454
methyl 4-[(2S)-1-methoxy-1-oxopent-4-en-2-yl]benzoate
CID 129383428
methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715
methyl 4-[(3S)-pent-1-en-3-yl]benzoate
CID 11344737
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[[ethenyl(dimethyl)silyl]methoxycarbonyl]phenyl]-[5-[[ethenyl(dimethyl)silyl]methoxy]-2-(4-methoxycarbonylphenoxy)phenyl]methyl]benzoate?
The IUPAC name of methyl 4-[[4-[[ethenyl(dimethyl)silyl]methoxycarbonyl]phenyl]-[5-[[ethenyl(dimethyl)silyl]methoxy]-2-(4-methoxycarbonylphenoxy)phenyl]methyl]benzoate (CID 70600987) is methyl 4-[[4-[[ethenyl(dimethyl)silyl]methoxycarbonyl]phenyl]-[5-[[ethenyl(dimethyl)silyl]methoxy]-2-(4-methoxycarbonylphenoxy)phenyl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-[[ethenyl(dimethyl)silyl]methoxycarbonyl]phenyl]-[5-[[ethenyl(dimethyl)silyl]methoxy]-2-(4-methoxycarbonylphenoxy)phenyl]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-[[ethenyl(dimethyl)silyl]methoxycarbonyl]phenyl]-[5-[[ethenyl(dimethyl)silyl]methoxy]-2-(4-methoxycarbonylphenoxy)phenyl]methyl]benzoate is C=C[Si](C)(C)COC(=O)c1ccc(C(c2ccc(C(=O)OC)cc2)c2cc(OC[Si](C)(C)C=C)ccc2Oc2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[[4-[[ethenyl(dimethyl)silyl]methoxycarbonyl]phenyl]-[5-[[ethenyl(dimethyl)silyl]methoxy]-2-(4-methoxycarbonylphenoxy)phenyl]methyl]benzoate?
The InChIKey is IKXIZEPUKBOZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44O8Si2/c1-9-49(5,6)26-46-34-23-24-36(48-33-21-19-31(20-22-33)39(42)45-4)35(25-34)37(28-11-15-30(16-12-28)38(41)44-3)29-13-17-32(18-14-29)40(43)47-27-50(7,8)10-2/h9-25,37H,1-2,26-27H2,3-8H3.
What are the key properties of methyl 4-[[4-[[ethenyl(dimethyl)silyl]methoxycarbonyl]phenyl]-[5-[[ethenyl(dimethyl)silyl]methoxy]-2-(4-methoxycarbonylphenoxy)phenyl]methyl]benzoate?
methyl 4-[[4-[[ethenyl(dimethyl)silyl]methoxycarbonyl]phenyl]-[5-[[ethenyl(dimethyl)silyl]methoxy]-2-(4-methoxycarbonylphenoxy)phenyl]methyl]benzoate has a molecular weight of 708.96 g/mol, XLogP of 8.71, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[[ethenyl(dimethyl)silyl]methoxycarbonyl]phenyl]-[5-[[ethenyl(dimethyl)silyl]methoxy]-2-(4-methoxycarbonylphenoxy)phenyl]methyl]benzoate is sourced from PubChem (CID 70600987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).