2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid

C11H22O5 — CID 63072762

IUPAC2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid
SMILESCCOC(CCOCCOC(C)C)C(=O)O
InChIInChI=1S/C11H22O5/c1-4-15-10(11(12)13)5-6-14-7-8-16-9(2)3/h9-10H,4-8H2,1-3H3,(H,12,13)
InChIKeyQZCZYGYGUGVOBV-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.31
Rot. Bonds10

About 2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid

2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid (PubChem CID 63072762) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid.

Molecular Properties

Compound Name2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid
PubChem CID63072762
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid
SMILESCCOC(CCOCCOC(C)C)C(=O)O
InChIInChI=1S/C11H22O5/c1-4-15-10(11(12)13)5-6-14-7-8-16-9(2)3/h9-10H,4-8H2,1-3H3,(H,12,13)
InChIKeyQZCZYGYGUGVOBV-UHFFFAOYSA-N
XLogP1.31
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-(2-methylpropoxy)butanoic acid
CID 63074828
2-(2-ethoxyethoxy)pentanoic acid
CID 83037428
ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate
CID 63038922
4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid
CID 55144727
3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid
CID 87458033
4-bromo-2-ethoxybutanoic acid
CID 174871505
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
4-(diethylamino)-2-ethoxybutanoic acid
CID 63068058
4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid
CID 63068638
2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid
CID 63692704
(4R)-2-ethoxy-4-methylhexanoic acid
CID 142224466
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid?
The IUPAC name of 2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid (CID 63072762) is 2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid.
What is the SMILES notation for 2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid?
The canonical SMILES for 2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid is CCOC(CCOCCOC(C)C)C(=O)O.
What is the InChIKey of 2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid?
The InChIKey is QZCZYGYGUGVOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-4-15-10(11(12)13)5-6-14-7-8-16-9(2)3/h9-10H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid?
2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid has a molecular weight of 234.29 g/mol, XLogP of 1.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid is sourced from PubChem (CID 63072762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).