(8S,9R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,9-dicarboxylic acid

C11H12O4 — CID 11969811

IUPAC(8S,9R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,9-dicarboxylic acid
SMILESO=C(O)[C@@H]1C2C3CC4C2C4C3[C@@H]1C(=O)O
InChIInChI=1S/C11H12O4/c12-10(13)8-6-3-1-2-4(6)5(2)7(3)9(8)11(14)15/h2-9H,1H2,(H,12,13)(H,14,15)/t2?,3?,4?,5?,6?,7?,8-,9+
InChIKeyFMTSKUMRTBHLGH-JWHJESJHSA-N
MW208.21 g/mol
LogP0.53
Rot. Bonds2

About (8S,9R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,9-dicarboxylic acid

(8S,9R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,9-dicarboxylic acid (PubChem CID 11969811) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is (8S,9R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,9-dicarboxylic acid.

Molecular Properties

Compound Name(8S,9R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,9-dicarboxylic acid
PubChem CID11969811
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name(8S,9R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,9-dicarboxylic acid
SMILESO=C(O)[C@@H]1C2C3CC4C2C4C3[C@@H]1C(=O)O
InChIInChI=1S/C11H12O4/c12-10(13)8-6-3-1-2-4(6)5(2)7(3)9(8)11(14)15/h2-9H,1H2,(H,12,13)(H,14,15)/t2?,3?,4?,5?,6?,7?,8-,9+
InChIKeyFMTSKUMRTBHLGH-JWHJESJHSA-N
XLogP0.53
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8S,9R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,9-dicarboxylic acid?
The IUPAC name of (8S,9R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,9-dicarboxylic acid (CID 11969811) is (8S,9R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,9-dicarboxylic acid.
What is the SMILES notation for (8S,9R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,9-dicarboxylic acid?
The canonical SMILES for (8S,9R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,9-dicarboxylic acid is O=C(O)[C@@H]1C2C3CC4C2C4C3[C@@H]1C(=O)O.
What is the InChIKey of (8S,9R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,9-dicarboxylic acid?
The InChIKey is FMTSKUMRTBHLGH-JWHJESJHSA-N. The full InChI is InChI=1S/C11H12O4/c12-10(13)8-6-3-1-2-4(6)5(2)7(3)9(8)11(14)15/h2-9H,1H2,(H,12,13)(H,14,15)/t2?,3?,4?,5?,6?,7?,8-,9+.
What are the key properties of (8S,9R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,9-dicarboxylic acid?
(8S,9R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,9-dicarboxylic acid has a molecular weight of 208.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,9-dicarboxylic acid is sourced from PubChem (CID 11969811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).