2-(methoxymethyl)oxolane-2-carboxylic acid

C7H12O4 — CID 118540261

IUPAC2-(methoxymethyl)oxolane-2-carboxylic acid
SMILESCOCC1(C(=O)O)CCCO1
InChIInChI=1S/C7H12O4/c1-10-5-7(6(8)9)3-2-4-11-7/h2-5H2,1H3,(H,8,9)
InChIKeyTXQUMVNVQOBYDT-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.27
Rot. Bonds3

About 2-(methoxymethyl)oxolane-2-carboxylic acid

2-(methoxymethyl)oxolane-2-carboxylic acid (PubChem CID 118540261) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-(methoxymethyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)oxolane-2-carboxylic acid
PubChem CID118540261
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name2-(methoxymethyl)oxolane-2-carboxylic acid
SMILESCOCC1(C(=O)O)CCCO1
InChIInChI=1S/C7H12O4/c1-10-5-7(6(8)9)3-2-4-11-7/h2-5H2,1H3,(H,8,9)
InChIKeyTXQUMVNVQOBYDT-UHFFFAOYSA-N
XLogP0.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)oxolane-2-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)oxolane-2-carboxylic acid (CID 118540261) is 2-(methoxymethyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)oxolane-2-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)oxolane-2-carboxylic acid is COCC1(C(=O)O)CCCO1.
What is the InChIKey of 2-(methoxymethyl)oxolane-2-carboxylic acid?
The InChIKey is TXQUMVNVQOBYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-10-5-7(6(8)9)3-2-4-11-7/h2-5H2,1H3,(H,8,9).
What are the key properties of 2-(methoxymethyl)oxolane-2-carboxylic acid?
2-(methoxymethyl)oxolane-2-carboxylic acid has a molecular weight of 160.17 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 118540261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).