ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate

C16H24O6 — CID 10448213

IUPACethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
SMILESCCOC(=O)c1ccccc1OCCOCCOCCOC
InChIInChI=1S/C16H24O6/c1-3-21-16(17)14-6-4-5-7-15(14)22-13-12-20-11-10-19-9-8-18-2/h4-7H,3,8-13H2,1-2H3
InChIKeyHRGQRHPMKVILIG-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.92
Rot. Bonds12

About ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate

ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate (PubChem CID 10448213) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
PubChem CID10448213
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Nameethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
SMILESCCOC(=O)c1ccccc1OCCOCCOCCOC
InChIInChI=1S/C16H24O6/c1-3-21-16(17)14-6-4-5-7-15(14)22-13-12-20-11-10-19-9-8-18-2/h4-7H,3,8-13H2,1-2H3
InChIKeyHRGQRHPMKVILIG-UHFFFAOYSA-N
XLogP1.92
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.92
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

ethyl 2-(3-methoxypropoxy)benzoate
CID 54075069
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
2-[2-(2-methoxyethoxy)ethoxy]benzenecarbothioamide
CID 43291229
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-(4-phenyl-N-(4-phenylphenyl)anilino)benzoate
CID 90352041
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate
CID 11109738
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzoic acid
CID 82827126
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate?
The IUPAC name of ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate (CID 10448213) is ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate.
What is the SMILES notation for ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate?
The canonical SMILES for ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate is CCOC(=O)c1ccccc1OCCOCCOCCOC.
What is the InChIKey of ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate?
The InChIKey is HRGQRHPMKVILIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O6/c1-3-21-16(17)14-6-4-5-7-15(14)22-13-12-20-11-10-19-9-8-18-2/h4-7H,3,8-13H2,1-2H3.
What are the key properties of ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate?
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate has a molecular weight of 312.36 g/mol, XLogP of 1.92, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate is sourced from PubChem (CID 10448213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).