2,5-dihydroxybicyclo[2.2.2]octane-1,4-dicarboxylic acid

C10H14O6 — CID 18920677

IUPAC2,5-dihydroxybicyclo[2.2.2]octane-1,4-dicarboxylic acid
SMILESO=C(O)C12CCC(C(=O)O)(CC1O)C(O)C2
InChIInChI=1S/C10H14O6/c11-5-4-10(8(15)16)2-1-9(5,7(13)14)3-6(10)12/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)
InChIKeyDKFZJKQOEGPMFL-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.56
Rot. Bonds2

About 2,5-dihydroxybicyclo[2.2.2]octane-1,4-dicarboxylic acid

2,5-dihydroxybicyclo[2.2.2]octane-1,4-dicarboxylic acid (PubChem CID 18920677) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2,5-dihydroxybicyclo[2.2.2]octane-1,4-dicarboxylic acid.

Molecular Properties

Compound Name2,5-dihydroxybicyclo[2.2.2]octane-1,4-dicarboxylic acid
PubChem CID18920677
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name2,5-dihydroxybicyclo[2.2.2]octane-1,4-dicarboxylic acid
SMILESO=C(O)C12CCC(C(=O)O)(CC1O)C(O)C2
InChIInChI=1S/C10H14O6/c11-5-4-10(8(15)16)2-1-9(5,7(13)14)3-6(10)12/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)
InChIKeyDKFZJKQOEGPMFL-UHFFFAOYSA-N
XLogP-0.56
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxybicyclo[2.2.2]octane-1,4-dicarboxylic acid?
The IUPAC name of 2,5-dihydroxybicyclo[2.2.2]octane-1,4-dicarboxylic acid (CID 18920677) is 2,5-dihydroxybicyclo[2.2.2]octane-1,4-dicarboxylic acid.
What is the SMILES notation for 2,5-dihydroxybicyclo[2.2.2]octane-1,4-dicarboxylic acid?
The canonical SMILES for 2,5-dihydroxybicyclo[2.2.2]octane-1,4-dicarboxylic acid is O=C(O)C12CCC(C(=O)O)(CC1O)C(O)C2.
What is the InChIKey of 2,5-dihydroxybicyclo[2.2.2]octane-1,4-dicarboxylic acid?
The InChIKey is DKFZJKQOEGPMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c11-5-4-10(8(15)16)2-1-9(5,7(13)14)3-6(10)12/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16).
What are the key properties of 2,5-dihydroxybicyclo[2.2.2]octane-1,4-dicarboxylic acid?
2,5-dihydroxybicyclo[2.2.2]octane-1,4-dicarboxylic acid has a molecular weight of 230.22 g/mol, XLogP of -0.56, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxybicyclo[2.2.2]octane-1,4-dicarboxylic acid is sourced from PubChem (CID 18920677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).