2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate

C11H22O7 — CID 58205614

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate
SMILESCOCCOCCOCCOC(=O)C(CO)CO
InChIInChI=1S/C11H22O7/c1-15-2-3-16-4-5-17-6-7-18-11(14)10(8-12)9-13/h10,12-13H,2-9H2,1H3
InChIKeyIMYQEHNDHJJUDU-UHFFFAOYSA-N
MW266.29 g/mol
LogP-1.19
Rot. Bonds12

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate

2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate (PubChem CID 58205614) has the molecular formula C11H22O7 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate
PubChem CID58205614
Molecular FormulaC11H22O7
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate
SMILESCOCCOCCOCCOC(=O)C(CO)CO
InChIInChI=1S/C11H22O7/c1-15-2-3-16-4-5-17-6-7-18-11(14)10(8-12)9-13/h10,12-13H,2-9H2,1H3
InChIKeyIMYQEHNDHJJUDU-UHFFFAOYSA-N
XLogP-1.19
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoate
CID 140815582
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate
CID 114005284
2-(2-methoxyethoxy)ethyl (2R)-2-amino-4-hydroxybutanoate
CID 107825427
2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate
CID 103178431
1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol
CID 162081767
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87539702
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate
CID 89311377
ethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87301416
[1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]azanium
CID 123878307
2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate
CID 103178278
2-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-1-ol
CID 112704571
2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104567674

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate (CID 58205614) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate is COCCOCCOCCOC(=O)C(CO)CO.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate?
The InChIKey is IMYQEHNDHJJUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O7/c1-15-2-3-16-4-5-17-6-7-18-11(14)10(8-12)9-13/h10,12-13H,2-9H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate has a molecular weight of 266.29 g/mol, XLogP of -1.19, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate is sourced from PubChem (CID 58205614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).