tricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8-pentaene-9-carboxylic acid

C13H10O2 — CID 54255571

IUPACtricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8-pentaene-9-carboxylic acid
SMILESO=C(O)c1cc2c3ccccc3c1CC2
InChIInChI=1S/C13H10O2/c14-13(15)12-7-8-5-6-11(12)10-4-2-1-3-9(8)10/h1-4,7H,5-6H2,(H,14,15)
InChIKeyQZURYBYBFVUUMH-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.64
Rot. Bonds1

About tricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8-pentaene-9-carboxylic acid

tricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8-pentaene-9-carboxylic acid (PubChem CID 54255571) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is tricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8-pentaene-9-carboxylic acid.

Molecular Properties

Compound Nametricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8-pentaene-9-carboxylic acid
PubChem CID54255571
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Nametricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8-pentaene-9-carboxylic acid
SMILESO=C(O)c1cc2c3ccccc3c1CC2
InChIInChI=1S/C13H10O2/c14-13(15)12-7-8-5-6-11(12)10-4-2-1-3-9(8)10/h1-4,7H,5-6H2,(H,14,15)
InChIKeyQZURYBYBFVUUMH-UHFFFAOYSA-N
XLogP2.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 16658445
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CID 71370155
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tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid
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hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene-4,9,14,19,24,26,28,30,32,34-decacarboxylic acid
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Frequently Asked Questions

What is the IUPAC name of tricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8-pentaene-9-carboxylic acid?
The IUPAC name of tricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8-pentaene-9-carboxylic acid (CID 54255571) is tricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8-pentaene-9-carboxylic acid.
What is the SMILES notation for tricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8-pentaene-9-carboxylic acid?
The canonical SMILES for tricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8-pentaene-9-carboxylic acid is O=C(O)c1cc2c3ccccc3c1CC2.
What is the InChIKey of tricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8-pentaene-9-carboxylic acid?
The InChIKey is QZURYBYBFVUUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-13(15)12-7-8-5-6-11(12)10-4-2-1-3-9(8)10/h1-4,7H,5-6H2,(H,14,15).
What are the key properties of tricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8-pentaene-9-carboxylic acid?
tricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8-pentaene-9-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8-pentaene-9-carboxylic acid is sourced from PubChem (CID 54255571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).