methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[2-[2-(2-methoxyethoxy)-1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzoate

C35H54O14 — CID 166142835

IUPACmethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[2-[2-(2-methoxyethoxy)-1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzoate
SMILESCOCCOCCOCCOc1cc(OCCOC(COCCOC)OCCOCCOCCOCc2ccccc2)cc(C(=O)OC)c1
InChIInChI=1S/C35H54O14/c1-37-9-11-40-13-15-42-19-21-46-32-25-31(35(36)39-3)26-33(27-32)47-23-24-49-34(29-45-12-10-38-2)48-22-20-43-16-14-41-17-18-44-28-30-7-5-4-6-8-30/h4-8,25-27,34H,9-24,28-29H2,1-3H3
InChIKeyWGDKRTZFCLEBLG-UHFFFAOYSA-N
MW698.80 g/mol
LogP3.18
Rot. Bonds33

About methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[2-[2-(2-methoxyethoxy)-1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzoate

methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[2-[2-(2-methoxyethoxy)-1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzoate (PubChem CID 166142835) has the molecular formula C35H54O14 and a molecular weight of 698.80 g/mol. Its IUPAC name is methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[2-[2-(2-methoxyethoxy)-1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[2-[2-(2-methoxyethoxy)-1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzoate
PubChem CID166142835
Molecular FormulaC35H54O14
Molecular Weight698.80 g/mol
Exact Mass698.35
IUPAC Namemethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[2-[2-(2-methoxyethoxy)-1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzoate
SMILESCOCCOCCOCCOc1cc(OCCOC(COCCOC)OCCOCCOCCOCc2ccccc2)cc(C(=O)OC)c1
InChIInChI=1S/C35H54O14/c1-37-9-11-40-13-15-42-19-21-46-32-25-31(35(36)39-3)26-33(27-32)47-23-24-49-34(29-45-12-10-38-2)48-22-20-43-16-14-41-17-18-44-28-30-7-5-4-6-8-30/h4-8,25-27,34H,9-24,28-29H2,1-3H3
InChIKeyWGDKRTZFCLEBLG-UHFFFAOYSA-N
XLogP3.18
TPSA137.06 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds33
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.80
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[2-[2-(2-methoxyethoxy)-1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3,5-bis[3-(4-phenylmethoxyphenoxy)propoxy]benzoate
CID 54529309
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane
CID 161286829
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
bis[2-[2-[3-methoxycarbonyl-5-[2-[2-[4-[2-oxo-2-(4-phenylmethoxyphenyl)acetyl]phenoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethyl] oxalate
CID 102178885
3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid
CID 21250893
dimethyl 5-[2-[2-[2-[3,5-bis(methoxycarbonyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene-1,3-dicarboxylate
CID 57387038
methyl 3-[(2S)-butan-2-yl]oxy-5-phenylmethoxybenzoate
CID 59127096
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
6-hydroxyhexyl 3,5-bis(2-phenylmethoxyethoxy)benzoate
CID 132990681
2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene
CID 139525451
benzyl 3-hydroxy-5-[2-[2-(3-hydroxy-5-phenylmethoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 146540375
methyl 3-octadecoxy-5-[1-(3-phenylmethoxyphenoxy)propoxy]benzoate
CID 67826367

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[2-[2-(2-methoxyethoxy)-1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzoate?
The IUPAC name of methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[2-[2-(2-methoxyethoxy)-1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzoate (CID 166142835) is methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[2-[2-(2-methoxyethoxy)-1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzoate.
What is the SMILES notation for methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[2-[2-(2-methoxyethoxy)-1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzoate?
The canonical SMILES for methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[2-[2-(2-methoxyethoxy)-1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzoate is COCCOCCOCCOc1cc(OCCOC(COCCOC)OCCOCCOCCOCc2ccccc2)cc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[2-[2-(2-methoxyethoxy)-1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzoate?
The InChIKey is WGDKRTZFCLEBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H54O14/c1-37-9-11-40-13-15-42-19-21-46-32-25-31(35(36)39-3)26-33(27-32)47-23-24-49-34(29-45-12-10-38-2)48-22-20-43-16-14-41-17-18-44-28-30-7-5-4-6-8-30/h4-8,25-27,34H,9-24,28-29H2,1-3H3.
What are the key properties of methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[2-[2-(2-methoxyethoxy)-1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzoate?
methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[2-[2-(2-methoxyethoxy)-1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzoate has a molecular weight of 698.80 g/mol, XLogP of 3.18, 33 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[2-[2-(2-methoxyethoxy)-1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzoate is sourced from PubChem (CID 166142835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).