2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate

C25H42O6 — CID 23522622

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate
SMILESCOCCOCCOCCOC(=O)CCCCCCCCCCOc1ccc(C)cc1
InChIInChI=1S/C25H42O6/c1-23-12-14-24(15-13-23)30-16-10-8-6-4-3-5-7-9-11-25(26)31-22-21-29-20-19-28-18-17-27-2/h12-15H,3-11,16-22H2,1-2H3
InChIKeyIUTROOWHLPHVMN-UHFFFAOYSA-N
MW438.61 g/mol
LogP5.11
Rot. Bonds21

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate

2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate (PubChem CID 23522622) has the molecular formula C25H42O6 and a molecular weight of 438.61 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate
PubChem CID23522622
Molecular FormulaC25H42O6
Molecular Weight438.61 g/mol
Exact Mass438.30
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate
SMILESCOCCOCCOCCOC(=O)CCCCCCCCCCOc1ccc(C)cc1
InChIInChI=1S/C25H42O6/c1-23-12-14-24(15-13-23)30-16-10-8-6-4-3-5-7-9-11-25(26)31-22-21-29-20-19-28-18-17-27-2/h12-15H,3-11,16-22H2,1-2H3
InChIKeyIUTROOWHLPHVMN-UHFFFAOYSA-N
XLogP5.11
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 55.11
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

bis[6-[6-(4-methylphenoxy)hexoxy]-6-oxohexyl] butanedioate
CID 58027900
8-(4-methylphenoxy)octyl 6-(2-methylprop-2-enoyloxy)hexanoate
CID 58019571
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
methyl 2-[3-[5-(4-methylphenoxy)pentoxy]propoxy]acetate
CID 168969969
2-(2-methoxyethoxy)ethyl dodecanoate
CID 10990309
ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate
CID 118671454
1,1,1-trifluoro-7-(4-methylphenoxy)heptan-2-one
CID 58149715
2-(2-phenoxyethoxy)ethyl octadecanoate
CID 18459535
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 5-[4-(dimethylamino)phenoxy]pentanoate
CID 59839504
2-methoxyethyl 5-methoxypentanoate
CID 58454735
ethyl 7-(4-chlorophenoxy)heptanoate
CID 158846599
4-[5-(2-methoxyethoxy)pentoxy]aniline
CID 3026839

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate (CID 23522622) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate is COCCOCCOCCOC(=O)CCCCCCCCCCOc1ccc(C)cc1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate?
The InChIKey is IUTROOWHLPHVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O6/c1-23-12-14-24(15-13-23)30-16-10-8-6-4-3-5-7-9-11-25(26)31-22-21-29-20-19-28-18-17-27-2/h12-15H,3-11,16-22H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate has a molecular weight of 438.61 g/mol, XLogP of 5.11, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate is sourced from PubChem (CID 23522622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).