tricyclo[5.2.1.02,6]deca-3,8-diene-3,4-dicarboxylic acid

C12H12O4 — CID 18462814

IUPACtricyclo[5.2.1.02,6]deca-3,8-diene-3,4-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)C2C3C=CC(C3)C2C1
InChIInChI=1S/C12H12O4/c13-11(14)8-4-7-5-1-2-6(3-5)9(7)10(8)12(15)16/h1-2,5-7,9H,3-4H2,(H,13,14)(H,15,16)
InChIKeyPFMTYJHUWMZOPC-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.29
Rot. Bonds2

About tricyclo[5.2.1.02,6]deca-3,8-diene-3,4-dicarboxylic acid

tricyclo[5.2.1.02,6]deca-3,8-diene-3,4-dicarboxylic acid (PubChem CID 18462814) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is tricyclo[5.2.1.02,6]deca-3,8-diene-3,4-dicarboxylic acid.

Molecular Properties

Compound Nametricyclo[5.2.1.02,6]deca-3,8-diene-3,4-dicarboxylic acid
PubChem CID18462814
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Nametricyclo[5.2.1.02,6]deca-3,8-diene-3,4-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)C2C3C=CC(C3)C2C1
InChIInChI=1S/C12H12O4/c13-11(14)8-4-7-5-1-2-6(3-5)9(7)10(8)12(15)16/h1-2,5-7,9H,3-4H2,(H,13,14)(H,15,16)
InChIKeyPFMTYJHUWMZOPC-UHFFFAOYSA-N
XLogP1.29
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-Norbornadiene-2,3-dicarboxylic acid
CID 139991
2,10,10-Trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid
CID 45359512
Bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylic acid
CID 315174
Bicyclo(2.2.1)hept-2-ene-2-carboxylic acid
CID 281894
(1S,3aS,5aR,8aS)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid
CID 46937034
4,7-Methano-1H-indene-2,6-dicarboxylic acid, 3a,4,7,7a-tetrahydro-
CID 27468962
Tremutin H
CID 156011538
3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2,6-dicarboxylic acid
CID 296887
2-{Bicyclo[2.2.1]hept-5-en-2-yl}acetic acid
CID 21584946
2-((1S,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-yl)acetic acid
CID 28063363
1-Deoxypentalenic acid
CID 10988200
Penarine D
CID 156580469

Frequently Asked Questions

What is the IUPAC name of tricyclo[5.2.1.02,6]deca-3,8-diene-3,4-dicarboxylic acid?
The IUPAC name of tricyclo[5.2.1.02,6]deca-3,8-diene-3,4-dicarboxylic acid (CID 18462814) is tricyclo[5.2.1.02,6]deca-3,8-diene-3,4-dicarboxylic acid.
What is the SMILES notation for tricyclo[5.2.1.02,6]deca-3,8-diene-3,4-dicarboxylic acid?
The canonical SMILES for tricyclo[5.2.1.02,6]deca-3,8-diene-3,4-dicarboxylic acid is O=C(O)C1=C(C(=O)O)C2C3C=CC(C3)C2C1.
What is the InChIKey of tricyclo[5.2.1.02,6]deca-3,8-diene-3,4-dicarboxylic acid?
The InChIKey is PFMTYJHUWMZOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c13-11(14)8-4-7-5-1-2-6(3-5)9(7)10(8)12(15)16/h1-2,5-7,9H,3-4H2,(H,13,14)(H,15,16).
What are the key properties of tricyclo[5.2.1.02,6]deca-3,8-diene-3,4-dicarboxylic acid?
tricyclo[5.2.1.02,6]deca-3,8-diene-3,4-dicarboxylic acid has a molecular weight of 220.22 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.2.1.02,6]deca-3,8-diene-3,4-dicarboxylic acid is sourced from PubChem (CID 18462814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).