2-(methoxymethoxy)acetic acid

C4H8O4 — CID 11116042

IUPAC2-(methoxymethoxy)acetic acid
SMILESCOCOCC(=O)O
InChIInChI=1S/C4H8O4/c1-7-3-8-2-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKeyYBYUQHCVMYVBLL-UHFFFAOYSA-N
MW120.10 g/mol
LogP-0.31
Rot. Bonds4

About 2-(methoxymethoxy)acetic acid

2-(methoxymethoxy)acetic acid (PubChem CID 11116042) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is 2-(methoxymethoxy)acetic acid.

Molecular Properties

Compound Name2-(methoxymethoxy)acetic acid
PubChem CID11116042
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Name2-(methoxymethoxy)acetic acid
SMILESCOCOCC(=O)O
InChIInChI=1S/C4H8O4/c1-7-3-8-2-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKeyYBYUQHCVMYVBLL-UHFFFAOYSA-N
XLogP-0.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)acetic acid?
The IUPAC name of 2-(methoxymethoxy)acetic acid (CID 11116042) is 2-(methoxymethoxy)acetic acid.
What is the SMILES notation for 2-(methoxymethoxy)acetic acid?
The canonical SMILES for 2-(methoxymethoxy)acetic acid is COCOCC(=O)O.
What is the InChIKey of 2-(methoxymethoxy)acetic acid?
The InChIKey is YBYUQHCVMYVBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4/c1-7-3-8-2-4(5)6/h2-3H2,1H3,(H,5,6).
What are the key properties of 2-(methoxymethoxy)acetic acid?
2-(methoxymethoxy)acetic acid has a molecular weight of 120.10 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)acetic acid is sourced from PubChem (CID 11116042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).