5-oxaspiro[2.4]heptane-2-carboxylic acid

C7H10O3 — CID 63333375

IUPAC5-oxaspiro[2.4]heptane-2-carboxylic acid
SMILESO=C(O)C1CC12CCOC2
InChIInChI=1S/C7H10O3/c8-6(9)5-3-7(5)1-2-10-4-7/h5H,1-4H2,(H,8,9)
InChIKeyJFLODICQTNGUOG-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.50
Rot. Bonds1

About 5-oxaspiro[2.4]heptane-2-carboxylic acid

5-oxaspiro[2.4]heptane-2-carboxylic acid (PubChem CID 63333375) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 5-oxaspiro[2.4]heptane-2-carboxylic acid.

Molecular Properties

Compound Name5-oxaspiro[2.4]heptane-2-carboxylic acid
PubChem CID63333375
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name5-oxaspiro[2.4]heptane-2-carboxylic acid
SMILESO=C(O)C1CC12CCOC2
InChIInChI=1S/C7H10O3/c8-6(9)5-3-7(5)1-2-10-4-7/h5H,1-4H2,(H,8,9)
InChIKeyJFLODICQTNGUOG-UHFFFAOYSA-N
XLogP0.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[2.4]heptane-2-carboxylic acid?
The IUPAC name of 5-oxaspiro[2.4]heptane-2-carboxylic acid (CID 63333375) is 5-oxaspiro[2.4]heptane-2-carboxylic acid.
What is the SMILES notation for 5-oxaspiro[2.4]heptane-2-carboxylic acid?
The canonical SMILES for 5-oxaspiro[2.4]heptane-2-carboxylic acid is O=C(O)C1CC12CCOC2.
What is the InChIKey of 5-oxaspiro[2.4]heptane-2-carboxylic acid?
The InChIKey is JFLODICQTNGUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-6(9)5-3-7(5)1-2-10-4-7/h5H,1-4H2,(H,8,9).
What are the key properties of 5-oxaspiro[2.4]heptane-2-carboxylic acid?
5-oxaspiro[2.4]heptane-2-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[2.4]heptane-2-carboxylic acid is sourced from PubChem (CID 63333375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).