tricyclo[11.2.2.25,8]nonadeca-1,3,5,7,9,11-hexaene-7-carboxylic acid

C20H22O2 — CID 173278511

IUPACtricyclo[11.2.2.25,8]nonadeca-1,3,5,7,9,11-hexaene-7-carboxylic acid
SMILESO=C(O)C1=C2C=CC=CC3CCC(=CC=CC(=C1)CC2)CC3
InChIInChI=1S/C20H22O2/c21-20(22)19-14-17-6-3-5-16-10-8-15(9-11-16)4-1-2-7-18(19)13-12-17/h1-7,14-15H,8-13H2,(H,21,22)/b4-1?,6-3?,7-2?,16-5-
InChIKeyFMKXGFCCVBXRIR-GYACVYPNSA-N
MW294.39 g/mol
LogP4.89
Rot. Bonds1

About tricyclo[11.2.2.25,8]nonadeca-1,3,5,7,9,11-hexaene-7-carboxylic acid

tricyclo[11.2.2.25,8]nonadeca-1,3,5,7,9,11-hexaene-7-carboxylic acid (PubChem CID 173278511) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is tricyclo[11.2.2.25,8]nonadeca-1,3,5,7,9,11-hexaene-7-carboxylic acid.

Molecular Properties

Compound Nametricyclo[11.2.2.25,8]nonadeca-1,3,5,7,9,11-hexaene-7-carboxylic acid
PubChem CID173278511
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Nametricyclo[11.2.2.25,8]nonadeca-1,3,5,7,9,11-hexaene-7-carboxylic acid
SMILESO=C(O)C1=C2C=CC=CC3CCC(=CC=CC(=C1)CC2)CC3
InChIInChI=1S/C20H22O2/c21-20(22)19-14-17-6-3-5-16-10-8-15(9-11-16)4-1-2-7-18(19)13-12-17/h1-7,14-15H,8-13H2,(H,21,22)/b4-1?,6-3?,7-2?,16-5-
InChIKeyFMKXGFCCVBXRIR-GYACVYPNSA-N
XLogP4.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[11.2.2.25,8]nonadeca-1,3,5,7,9,11-hexaene-7-carboxylic acid?
The IUPAC name of tricyclo[11.2.2.25,8]nonadeca-1,3,5,7,9,11-hexaene-7-carboxylic acid (CID 173278511) is tricyclo[11.2.2.25,8]nonadeca-1,3,5,7,9,11-hexaene-7-carboxylic acid.
What is the SMILES notation for tricyclo[11.2.2.25,8]nonadeca-1,3,5,7,9,11-hexaene-7-carboxylic acid?
The canonical SMILES for tricyclo[11.2.2.25,8]nonadeca-1,3,5,7,9,11-hexaene-7-carboxylic acid is O=C(O)C1=C2C=CC=CC3CCC(=CC=CC(=C1)CC2)CC3.
What is the InChIKey of tricyclo[11.2.2.25,8]nonadeca-1,3,5,7,9,11-hexaene-7-carboxylic acid?
The InChIKey is FMKXGFCCVBXRIR-GYACVYPNSA-N. The full InChI is InChI=1S/C20H22O2/c21-20(22)19-14-17-6-3-5-16-10-8-15(9-11-16)4-1-2-7-18(19)13-12-17/h1-7,14-15H,8-13H2,(H,21,22)/b4-1?,6-3?,7-2?,16-5-.
What are the key properties of tricyclo[11.2.2.25,8]nonadeca-1,3,5,7,9,11-hexaene-7-carboxylic acid?
tricyclo[11.2.2.25,8]nonadeca-1,3,5,7,9,11-hexaene-7-carboxylic acid has a molecular weight of 294.39 g/mol, XLogP of 4.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[11.2.2.25,8]nonadeca-1,3,5,7,9,11-hexaene-7-carboxylic acid is sourced from PubChem (CID 173278511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).