2,4-dimethyloxetane-3-carboxylic acid

C6H10O3 — CID 168766151

IUPAC2,4-dimethyloxetane-3-carboxylic acid
SMILESCC1OC(C)C1C(=O)O
InChIInChI=1S/C6H10O3/c1-3-5(6(7)8)4(2)9-3/h3-5H,1-2H3,(H,7,8)
InChIKeyUHAYNYYNKXHZFJ-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.49
Rot. Bonds1

About 2,4-dimethyloxetane-3-carboxylic acid

2,4-dimethyloxetane-3-carboxylic acid (PubChem CID 168766151) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2,4-dimethyloxetane-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyloxetane-3-carboxylic acid
PubChem CID168766151
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2,4-dimethyloxetane-3-carboxylic acid
SMILESCC1OC(C)C1C(=O)O
InChIInChI=1S/C6H10O3/c1-3-5(6(7)8)4(2)9-3/h3-5H,1-2H3,(H,7,8)
InChIKeyUHAYNYYNKXHZFJ-UHFFFAOYSA-N
XLogP0.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyloxetane-3-carboxylic acid?
The IUPAC name of 2,4-dimethyloxetane-3-carboxylic acid (CID 168766151) is 2,4-dimethyloxetane-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyloxetane-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyloxetane-3-carboxylic acid is CC1OC(C)C1C(=O)O.
What is the InChIKey of 2,4-dimethyloxetane-3-carboxylic acid?
The InChIKey is UHAYNYYNKXHZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-5(6(7)8)4(2)9-3/h3-5H,1-2H3,(H,7,8).
What are the key properties of 2,4-dimethyloxetane-3-carboxylic acid?
2,4-dimethyloxetane-3-carboxylic acid has a molecular weight of 130.14 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyloxetane-3-carboxylic acid is sourced from PubChem (CID 168766151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).