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

C11H22O6 — CID 71457230

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-hydroxybutanoate
SMILESCCC(O)C(=O)OCCOCCOCCOC
InChIInChI=1S/C11H22O6/c1-3-10(12)11(13)17-9-8-16-7-6-15-5-4-14-2/h10,12H,3-9H2,1-2H3
InChIKeyNGXUMZMSRATYNK-UHFFFAOYSA-N
MW250.29 g/mol
LogP-0.02
Rot. Bonds11

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

2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-hydroxybutanoate (PubChem CID 71457230) has the molecular formula C11H22O6 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-hydroxybutanoate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-hydroxybutanoate
PubChem CID71457230
Molecular FormulaC11H22O6
Molecular Weight250.29 g/mol
Exact Mass250.14
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-hydroxybutanoate
SMILESCCC(O)C(=O)OCCOCCOCCOC
InChIInChI=1S/C11H22O6/c1-3-10(12)11(13)17-9-8-16-7-6-15-5-4-14-2/h10,12H,3-9H2,1-2H3
InChIKeyNGXUMZMSRATYNK-UHFFFAOYSA-N
XLogP-0.02
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Butyl Lactate
CID 8738
Butyl Butyryllactate
CID 24114
Butanedioic acid, 2-hydroxy-, 1,4-dibutyl ester
CID 95385
Butyl lactate, (S)-
CID 6999977
Isoamyl lactate
CID 86851
2,3-Dihydroxypropyl butanoate
CID 11188
Amyl lactate
CID 101145
2-Ethoxy-1-methyl-2-oxoethyl butyrate
CID 9815474
Ethyl 2-hydroxy-3-methylbutanoate
CID 520125
Diisopropyl tartrate
CID 6453580
2-Acetoxypropionic Acid
CID 79041
(+)-Dibutyl tartrate
CID 6910

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-hydroxybutanoate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-hydroxybutanoate (CID 71457230) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-hydroxybutanoate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-hydroxybutanoate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-hydroxybutanoate is CCC(O)C(=O)OCCOCCOCCOC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-hydroxybutanoate?
The InChIKey is NGXUMZMSRATYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O6/c1-3-10(12)11(13)17-9-8-16-7-6-15-5-4-14-2/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-hydroxybutanoate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-hydroxybutanoate has a molecular weight of 250.29 g/mol, XLogP of -0.02, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-hydroxybutanoate is sourced from PubChem (CID 71457230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).