1,8,9-trimethylbicyclo[5.2.0]nonane-8,9-dicarboxylic acid

C14H22O4 — CID 134900745

IUPAC1,8,9-trimethylbicyclo[5.2.0]nonane-8,9-dicarboxylic acid
SMILESCC12CCCCCC1C(C)(C(=O)O)C2(C)C(=O)O
InChIInChI=1S/C14H22O4/c1-12-8-6-4-5-7-9(12)13(2,10(15)16)14(12,3)11(17)18/h9H,4-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyQXEUNJHGBKCJSG-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.77
Rot. Bonds2

About 1,8,9-trimethylbicyclo[5.2.0]nonane-8,9-dicarboxylic acid

1,8,9-trimethylbicyclo[5.2.0]nonane-8,9-dicarboxylic acid (PubChem CID 134900745) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,8,9-trimethylbicyclo[5.2.0]nonane-8,9-dicarboxylic acid.

Molecular Properties

Compound Name1,8,9-trimethylbicyclo[5.2.0]nonane-8,9-dicarboxylic acid
PubChem CID134900745
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name1,8,9-trimethylbicyclo[5.2.0]nonane-8,9-dicarboxylic acid
SMILESCC12CCCCCC1C(C)(C(=O)O)C2(C)C(=O)O
InChIInChI=1S/C14H22O4/c1-12-8-6-4-5-7-9(12)13(2,10(15)16)14(12,3)11(17)18/h9H,4-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyQXEUNJHGBKCJSG-UHFFFAOYSA-N
XLogP2.77
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8,9-trimethylbicyclo[5.2.0]nonane-8,9-dicarboxylic acid?
The IUPAC name of 1,8,9-trimethylbicyclo[5.2.0]nonane-8,9-dicarboxylic acid (CID 134900745) is 1,8,9-trimethylbicyclo[5.2.0]nonane-8,9-dicarboxylic acid.
What is the SMILES notation for 1,8,9-trimethylbicyclo[5.2.0]nonane-8,9-dicarboxylic acid?
The canonical SMILES for 1,8,9-trimethylbicyclo[5.2.0]nonane-8,9-dicarboxylic acid is CC12CCCCCC1C(C)(C(=O)O)C2(C)C(=O)O.
What is the InChIKey of 1,8,9-trimethylbicyclo[5.2.0]nonane-8,9-dicarboxylic acid?
The InChIKey is QXEUNJHGBKCJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-12-8-6-4-5-7-9(12)13(2,10(15)16)14(12,3)11(17)18/h9H,4-8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 1,8,9-trimethylbicyclo[5.2.0]nonane-8,9-dicarboxylic acid?
1,8,9-trimethylbicyclo[5.2.0]nonane-8,9-dicarboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,9-trimethylbicyclo[5.2.0]nonane-8,9-dicarboxylic acid is sourced from PubChem (CID 134900745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).