dispiro[2.0.24.13]heptane-7-carboxylic acid

C8H10O2 — CID 55301601

IUPACdispiro[2.0.24.13]heptane-7-carboxylic acid
SMILESO=C(O)C1C2(CC2)C12CC2
InChIInChI=1S/C8H10O2/c9-6(10)5-7(1-2-7)8(5)3-4-8/h5H,1-4H2,(H,9,10)
InChIKeyARGZJFVHDICEJO-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.26
Rot. Bonds1

About dispiro[2.0.24.13]heptane-7-carboxylic acid

dispiro[2.0.24.13]heptane-7-carboxylic acid (PubChem CID 55301601) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is dispiro[2.0.24.13]heptane-7-carboxylic acid.

Molecular Properties

Compound Namedispiro[2.0.24.13]heptane-7-carboxylic acid
PubChem CID55301601
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Namedispiro[2.0.24.13]heptane-7-carboxylic acid
SMILESO=C(O)C1C2(CC2)C12CC2
InChIInChI=1S/C8H10O2/c9-6(10)5-7(1-2-7)8(5)3-4-8/h5H,1-4H2,(H,9,10)
InChIKeyARGZJFVHDICEJO-UHFFFAOYSA-N
XLogP1.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dispiro[2.0.24.13]heptane-7-carboxylic acid?
The IUPAC name of dispiro[2.0.24.13]heptane-7-carboxylic acid (CID 55301601) is dispiro[2.0.24.13]heptane-7-carboxylic acid.
What is the SMILES notation for dispiro[2.0.24.13]heptane-7-carboxylic acid?
The canonical SMILES for dispiro[2.0.24.13]heptane-7-carboxylic acid is O=C(O)C1C2(CC2)C12CC2.
What is the InChIKey of dispiro[2.0.24.13]heptane-7-carboxylic acid?
The InChIKey is ARGZJFVHDICEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-6(10)5-7(1-2-7)8(5)3-4-8/h5H,1-4H2,(H,9,10).
What are the key properties of dispiro[2.0.24.13]heptane-7-carboxylic acid?
dispiro[2.0.24.13]heptane-7-carboxylic acid has a molecular weight of 138.17 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 dispiro[2.0.24.13]heptane-7-carboxylic acid is sourced from PubChem (CID 55301601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).