bicyclo[3.2.2]non-8-ene-2,3,6,7-tetracarboxylic acid

C13H14O8 — CID 90218986

IUPACbicyclo[3.2.2]non-8-ene-2,3,6,7-tetracarboxylic acid
SMILESO=C(O)C1CC2C=CC(C1C(=O)O)C(C(=O)O)C2C(=O)O
InChIInChI=1S/C13H14O8/c14-10(15)6-3-4-1-2-5(8(6)12(18)19)9(13(20)21)7(4)11(16)17/h1-2,4-9H,3H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKeyLISMYBCXFVSIJR-UHFFFAOYSA-N
MW298.25 g/mol
LogP-0.00
Rot. Bonds4

About bicyclo[3.2.2]non-8-ene-2,3,6,7-tetracarboxylic acid

bicyclo[3.2.2]non-8-ene-2,3,6,7-tetracarboxylic acid (PubChem CID 90218986) has the molecular formula C13H14O8 and a molecular weight of 298.25 g/mol. Its IUPAC name is bicyclo[3.2.2]non-8-ene-2,3,6,7-tetracarboxylic acid.

Molecular Properties

Compound Namebicyclo[3.2.2]non-8-ene-2,3,6,7-tetracarboxylic acid
PubChem CID90218986
Molecular FormulaC13H14O8
Molecular Weight298.25 g/mol
Exact Mass298.07
IUPAC Namebicyclo[3.2.2]non-8-ene-2,3,6,7-tetracarboxylic acid
SMILESO=C(O)C1CC2C=CC(C1C(=O)O)C(C(=O)O)C2C(=O)O
InChIInChI=1S/C13H14O8/c14-10(15)6-3-4-1-2-5(8(6)12(18)19)9(13(20)21)7(4)11(16)17/h1-2,4-9H,3H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKeyLISMYBCXFVSIJR-UHFFFAOYSA-N
XLogP-0.00
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;silver
CID 58884336
bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;carbon monoxide
CID 88516165
(1S,2R,3S,4S)-bicyclo[2.2.0]hex-5-ene-2,3-dicarboxylic acid
CID 98163276
(1S,2S,3S,4S)-3-carbamoylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 7218089
(2R,3R)-bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid
CID 89358150
trans-(1R,2R)-cyclopentane-1,2,3,4-tetracarboxylic acid
CID 54441949
(2R,3R)-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 59710721
(1S,2R,4R)-3-propanoylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 130996457
(1R,2S,3R,4R)-3-(dimethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98151063
7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
CID 20677737
(1R,2S,3R,4S)-3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99726372
3-[(6-carboxy-2-bicyclo[2.2.1]heptanyl)methoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 134267675

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.2.2]non-8-ene-2,3,6,7-tetracarboxylic acid?
The IUPAC name of bicyclo[3.2.2]non-8-ene-2,3,6,7-tetracarboxylic acid (CID 90218986) is bicyclo[3.2.2]non-8-ene-2,3,6,7-tetracarboxylic acid.
What is the SMILES notation for bicyclo[3.2.2]non-8-ene-2,3,6,7-tetracarboxylic acid?
The canonical SMILES for bicyclo[3.2.2]non-8-ene-2,3,6,7-tetracarboxylic acid is O=C(O)C1CC2C=CC(C1C(=O)O)C(C(=O)O)C2C(=O)O.
What is the InChIKey of bicyclo[3.2.2]non-8-ene-2,3,6,7-tetracarboxylic acid?
The InChIKey is LISMYBCXFVSIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O8/c14-10(15)6-3-4-1-2-5(8(6)12(18)19)9(13(20)21)7(4)11(16)17/h1-2,4-9H,3H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21).
What are the key properties of bicyclo[3.2.2]non-8-ene-2,3,6,7-tetracarboxylic acid?
bicyclo[3.2.2]non-8-ene-2,3,6,7-tetracarboxylic acid has a molecular weight of 298.25 g/mol, XLogP of -0.00, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.2.2]non-8-ene-2,3,6,7-tetracarboxylic acid is sourced from PubChem (CID 90218986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).