2-ethoxy-2-(2-methoxypropoxy)acetic acid

C8H16O5 — CID 57284708

IUPAC2-ethoxy-2-(2-methoxypropoxy)acetic acid
SMILESCCOC(OCC(C)OC)C(=O)O
InChIInChI=1S/C8H16O5/c1-4-12-8(7(9)10)13-5-6(2)11-3/h6,8H,4-5H2,1-3H3,(H,9,10)
InChIKeyTXSRDTVQQXGUJE-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.49
Rot. Bonds7

About 2-ethoxy-2-(2-methoxypropoxy)acetic acid

2-ethoxy-2-(2-methoxypropoxy)acetic acid (PubChem CID 57284708) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-ethoxy-2-(2-methoxypropoxy)acetic acid.

Molecular Properties

Compound Name2-ethoxy-2-(2-methoxypropoxy)acetic acid
PubChem CID57284708
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name2-ethoxy-2-(2-methoxypropoxy)acetic acid
SMILESCCOC(OCC(C)OC)C(=O)O
InChIInChI=1S/C8H16O5/c1-4-12-8(7(9)10)13-5-6(2)11-3/h6,8H,4-5H2,1-3H3,(H,9,10)
InChIKeyTXSRDTVQQXGUJE-UHFFFAOYSA-N
XLogP0.49
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

acetic acid;2-methoxy-1-propan-2-yloxypropane
CID 172787962
lithium;2,2-diethoxyacetic acid;2-methylpropane
CID 158199649
(2S)-2-(2-ethoxypropoxy)propanoic acid
CID 151300849
2-[2-(2-ethoxypropoxy)propoxy]propan-1-ol;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol
CID 160742251
2-hydroxypropanoic acid;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol
CID 86606253
bis[2-(2-methoxypropoxy)propyl] carbonate
CID 139751195
1-ethoxy-2-(2-ethoxypropoxy)propane;1-ethoxy-2-(2-methoxypropoxy)propane
CID 159210596
2-hydroxy-3-(2-methoxypropoxy)butanedioate
CID 18717532
2-ethoxypropanoic acid;methane
CID 160636954
2-ethoxy-2-undecoxyacetic acid
CID 122610994
2-ethoxy-2-octoxyacetic acid
CID 122612440
3-butan-2-yloxy-2-ethoxypropanoic acid
CID 63074689

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(2-methoxypropoxy)acetic acid?
The IUPAC name of 2-ethoxy-2-(2-methoxypropoxy)acetic acid (CID 57284708) is 2-ethoxy-2-(2-methoxypropoxy)acetic acid.
What is the SMILES notation for 2-ethoxy-2-(2-methoxypropoxy)acetic acid?
The canonical SMILES for 2-ethoxy-2-(2-methoxypropoxy)acetic acid is CCOC(OCC(C)OC)C(=O)O.
What is the InChIKey of 2-ethoxy-2-(2-methoxypropoxy)acetic acid?
The InChIKey is TXSRDTVQQXGUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5/c1-4-12-8(7(9)10)13-5-6(2)11-3/h6,8H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-ethoxy-2-(2-methoxypropoxy)acetic acid?
2-ethoxy-2-(2-methoxypropoxy)acetic acid has a molecular weight of 192.21 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(2-methoxypropoxy)acetic acid is sourced from PubChem (CID 57284708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).