tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylic acid

C13H10O8 — CID 139246430

IUPACtricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylic acid
SMILESO=C(O)C1=CC2(C(=O)O)C3CC1C(C(=O)O)=CC32C(=O)O
InChIInChI=1S/C13H10O8/c14-8(15)5-2-12(10(18)19)7-1-4(5)6(9(16)17)3-13(7,12)11(20)21/h2-4,7H,1H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKeyDCUNAJNOHRKETA-UHFFFAOYSA-N
MW294.22 g/mol
LogP-0.19
Rot. Bonds4

About tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylic acid

tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylic acid (PubChem CID 139246430) has the molecular formula C13H10O8 and a molecular weight of 294.22 g/mol. Its IUPAC name is tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylic acid.

Molecular Properties

Compound Nametricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylic acid
PubChem CID139246430
Molecular FormulaC13H10O8
Molecular Weight294.22 g/mol
Exact Mass294.04
IUPAC Nametricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylic acid
SMILESO=C(O)C1=CC2(C(=O)O)C3CC1C(C(=O)O)=CC32C(=O)O
InChIInChI=1S/C13H10O8/c14-8(15)5-2-12(10(18)19)7-1-4(5)6(9(16)17)3-13(7,12)11(20)21/h2-4,7H,1H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKeyDCUNAJNOHRKETA-UHFFFAOYSA-N
XLogP-0.19
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylic acid?
The IUPAC name of tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylic acid (CID 139246430) is tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylic acid.
What is the SMILES notation for tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylic acid?
The canonical SMILES for tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylic acid is O=C(O)C1=CC2(C(=O)O)C3CC1C(C(=O)O)=CC32C(=O)O.
What is the InChIKey of tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylic acid?
The InChIKey is DCUNAJNOHRKETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O8/c14-8(15)5-2-12(10(18)19)7-1-4(5)6(9(16)17)3-13(7,12)11(20)21/h2-4,7H,1H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21).
What are the key properties of tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylic acid?
tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylic acid has a molecular weight of 294.22 g/mol, XLogP of -0.19, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylic acid is sourced from PubChem (CID 139246430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).