spiro[2.3]hexane-6-carboxylic acid

C7H10O2 — CID 84716064

IUPACspiro[2.3]hexane-6-carboxylic acid
SMILESO=C(O)C1CCC12CC2
InChIInChI=1S/C7H10O2/c8-6(9)5-1-2-7(5)3-4-7/h5H,1-4H2,(H,8,9)
InChIKeyFUMXCUCATKJSHY-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.26
Rot. Bonds1

About spiro[2.3]hexane-6-carboxylic acid

spiro[2.3]hexane-6-carboxylic acid (PubChem CID 84716064) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is spiro[2.3]hexane-6-carboxylic acid.

Molecular Properties

Compound Namespiro[2.3]hexane-6-carboxylic acid
PubChem CID84716064
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Namespiro[2.3]hexane-6-carboxylic acid
SMILESO=C(O)C1CCC12CC2
InChIInChI=1S/C7H10O2/c8-6(9)5-1-2-7(5)3-4-7/h5H,1-4H2,(H,8,9)
InChIKeyFUMXCUCATKJSHY-UHFFFAOYSA-N
XLogP1.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[2.3]hexane-6-carboxylic acid?
The IUPAC name of spiro[2.3]hexane-6-carboxylic acid (CID 84716064) is spiro[2.3]hexane-6-carboxylic acid.
What is the SMILES notation for spiro[2.3]hexane-6-carboxylic acid?
The canonical SMILES for spiro[2.3]hexane-6-carboxylic acid is O=C(O)C1CCC12CC2.
What is the InChIKey of spiro[2.3]hexane-6-carboxylic acid?
The InChIKey is FUMXCUCATKJSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-6(9)5-1-2-7(5)3-4-7/h5H,1-4H2,(H,8,9).
What are the key properties of spiro[2.3]hexane-6-carboxylic acid?
spiro[2.3]hexane-6-carboxylic acid has a molecular weight of 126.15 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.3]hexane-6-carboxylic acid is sourced from PubChem (CID 84716064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).