tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid

C18H10O4 — CID 67709035

IUPACtetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid
SMILESO=C(O)c1c2c(c3ccccc3c1C(=O)O)-c1ccccc1-2
InChIInChI=1S/C18H10O4/c19-17(20)15-12-8-4-2-6-10(12)13-9-5-1-3-7-11(9)14(13)16(15)18(21)22/h1-8H,(H,19,20)(H,21,22)
InChIKeyWXOWCTNKLNRAPG-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.88
Rot. Bonds2

About tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid

tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid (PubChem CID 67709035) has the molecular formula C18H10O4 and a molecular weight of 290.27 g/mol. Its IUPAC name is tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid.

Molecular Properties

Compound Nametetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid
PubChem CID67709035
Molecular FormulaC18H10O4
Molecular Weight290.27 g/mol
Exact Mass290.06
IUPAC Nametetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid
SMILESO=C(O)c1c2c(c3ccccc3c1C(=O)O)-c1ccccc1-2
InChIInChI=1S/C18H10O4/c19-17(20)15-12-8-4-2-6-10(12)13-9-5-1-3-7-11(9)14(13)16(15)18(21)22/h1-8H,(H,19,20)(H,21,22)
InChIKeyWXOWCTNKLNRAPG-UHFFFAOYSA-N
XLogP3.88
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid?
The IUPAC name of tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid (CID 67709035) is tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid.
What is the SMILES notation for tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid?
The canonical SMILES for tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid is O=C(O)c1c2c(c3ccccc3c1C(=O)O)-c1ccccc1-2.
What is the InChIKey of tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid?
The InChIKey is WXOWCTNKLNRAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O4/c19-17(20)15-12-8-4-2-6-10(12)13-9-5-1-3-7-11(9)14(13)16(15)18(21)22/h1-8H,(H,19,20)(H,21,22).
What are the key properties of tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid?
tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid has a molecular weight of 290.27 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid is sourced from PubChem (CID 67709035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).