2-methyl-2-prop-2-enoxypropanoic acid

C7H12O3 — CID 14459688

IUPAC2-methyl-2-prop-2-enoxypropanoic acid
SMILESC=CCOC(C)(C)C(=O)O
InChIInChI=1S/C7H12O3/c1-4-5-10-7(2,3)6(8)9/h4H,1,5H2,2-3H3,(H,8,9)
InChIKeyRCTTWIDJOGVOCS-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.05
Rot. Bonds4

About 2-methyl-2-prop-2-enoxypropanoic acid

2-methyl-2-prop-2-enoxypropanoic acid (PubChem CID 14459688) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-methyl-2-prop-2-enoxypropanoic acid.

Molecular Properties

Compound Name2-methyl-2-prop-2-enoxypropanoic acid
PubChem CID14459688
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-methyl-2-prop-2-enoxypropanoic acid
SMILESC=CCOC(C)(C)C(=O)O
InChIInChI=1S/C7H12O3/c1-4-5-10-7(2,3)6(8)9/h4H,1,5H2,2-3H3,(H,8,9)
InChIKeyRCTTWIDJOGVOCS-UHFFFAOYSA-N
XLogP1.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-prop-2-enoxypropanoic acid?
The IUPAC name of 2-methyl-2-prop-2-enoxypropanoic acid (CID 14459688) is 2-methyl-2-prop-2-enoxypropanoic acid.
What is the SMILES notation for 2-methyl-2-prop-2-enoxypropanoic acid?
The canonical SMILES for 2-methyl-2-prop-2-enoxypropanoic acid is C=CCOC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-prop-2-enoxypropanoic acid?
The InChIKey is RCTTWIDJOGVOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-5-10-7(2,3)6(8)9/h4H,1,5H2,2-3H3,(H,8,9).
What are the key properties of 2-methyl-2-prop-2-enoxypropanoic acid?
2-methyl-2-prop-2-enoxypropanoic acid has a molecular weight of 144.17 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-2-enoxypropanoic acid is sourced from PubChem (CID 14459688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).