methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate

C16H24O6 — CID 11109738

IUPACmethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate
SMILESCOCCOCCOCCOc1cccc(C(=O)OC)c1C
InChIInChI=1S/C16H24O6/c1-13-14(16(17)19-3)5-4-6-15(13)22-12-11-21-10-9-20-8-7-18-2/h4-6H,7-12H2,1-3H3
InChIKeyUHSDWSLLFCEIHC-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.84
Rot. Bonds11

About methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate

methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate (PubChem CID 11109738) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate
PubChem CID11109738
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Namemethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate
SMILESCOCCOCCOCCOc1cccc(C(=O)OC)c1C
InChIInChI=1S/C16H24O6/c1-13-14(16(17)19-3)5-4-6-15(13)22-12-11-21-10-9-20-8-7-18-2/h4-6H,7-12H2,1-3H3
InChIKeyUHSDWSLLFCEIHC-UHFFFAOYSA-N
XLogP1.84
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.84
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

3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzoic acid
CID 82827126
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
methyl 2-hydroxy-3-[2-[2-[2-(2-hydroxy-3-methoxycarbonylphenoxy)ethoxy]ethoxy]ethoxy]benzoate
CID 100926239
methyl 2,3-bis(2-methoxyethoxy)benzoate
CID 66888836
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
CID 104564323
methyl 3-methoxy-2-methylbenzoate
CID 12527049
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213
methyl 2-amino-3-(2-ethoxyethoxy)benzoate
CID 115546997
1-(chloromethyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzene
CID 10859628
2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564090
2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzoic acid
CID 82828919

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate?
The IUPAC name of methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate (CID 11109738) is methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate?
The canonical SMILES for methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate is COCCOCCOCCOc1cccc(C(=O)OC)c1C.
What is the InChIKey of methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate?
The InChIKey is UHSDWSLLFCEIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O6/c1-13-14(16(17)19-3)5-4-6-15(13)22-12-11-21-10-9-20-8-7-18-2/h4-6H,7-12H2,1-3H3.
What are the key properties of methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate?
methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate has a molecular weight of 312.36 g/mol, XLogP of 1.84, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate is sourced from PubChem (CID 11109738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).