methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate

C15H22O6 — CID 104560522

IUPACmethyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
SMILESCOCCOCCOCCOc1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H22O6/c1-17-7-8-19-9-10-20-11-12-21-14-5-3-13(4-6-14)15(16)18-2/h3-6H,7-12H2,1-2H3
InChIKeyJKNHQJVAAGMJAL-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.53
Rot. Bonds11

About methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate

methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate (PubChem CID 104560522) has the molecular formula C15H22O6 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
PubChem CID104560522
Molecular FormulaC15H22O6
Molecular Weight298.34 g/mol
Exact Mass298.14
IUPAC Namemethyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
SMILESCOCCOCCOCCOc1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H22O6/c1-17-7-8-19-9-10-20-11-12-21-14-5-3-13(4-6-14)15(16)18-2/h3-6H,7-12H2,1-2H3
InChIKeyJKNHQJVAAGMJAL-UHFFFAOYSA-N
XLogP1.53
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride
CID 141339492
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965
4-O-[2-(4-bromophenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308187
methyl 4-(2-methoxyethylperoxycarbonyl)benzoate
CID 58915618
methyl 4-(2-propanoyloxyethoxy)benzoate
CID 59386419
ethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate
CID 103408920
4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid
CID 103175922
methyl 4-[[[4-[4-(3-methoxypropoxy)phenyl]benzoyl]amino]carbamoyl]benzoate
CID 20655642
methyl 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
CID 177055235
methyl 4-[[4-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzoate
CID 17353758
methyl 4-(4-oxopentoxy)benzoate
CID 67943009

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate?
The IUPAC name of methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate (CID 104560522) is methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate?
The canonical SMILES for methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate is COCCOCCOCCOc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate?
The InChIKey is JKNHQJVAAGMJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O6/c1-17-7-8-19-9-10-20-11-12-21-14-5-3-13(4-6-14)15(16)18-2/h3-6H,7-12H2,1-2H3.
What are the key properties of methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate?
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate has a molecular weight of 298.34 g/mol, XLogP of 1.53, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate is sourced from PubChem (CID 104560522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).