(1Z)-cyclooctene-1,2,3-tricarboxylic acid

C11H14O6 — CID 121331499

IUPAC(1Z)-cyclooctene-1,2,3-tricarboxylic acid
SMILESO=C(O)/C1=C(\C(=O)O)C(C(=O)O)CCCCC1
InChIInChI=1S/C11H14O6/c12-9(13)6-4-2-1-3-5-7(10(14)15)8(6)11(16)17/h6H,1-5H2,(H,12,13)(H,14,15)(H,16,17)/b8-7-
InChIKeyMVIMZTTYIFTWGG-FPLPWBNLSA-N
MW242.23 g/mol
LogP1.12
Rot. Bonds3

About (1Z)-cyclooctene-1,2,3-tricarboxylic acid

(1Z)-cyclooctene-1,2,3-tricarboxylic acid (PubChem CID 121331499) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is (1Z)-cyclooctene-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name(1Z)-cyclooctene-1,2,3-tricarboxylic acid
PubChem CID121331499
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name(1Z)-cyclooctene-1,2,3-tricarboxylic acid
SMILESO=C(O)/C1=C(\C(=O)O)C(C(=O)O)CCCCC1
InChIInChI=1S/C11H14O6/c12-9(13)6-4-2-1-3-5-7(10(14)15)8(6)11(16)17/h6H,1-5H2,(H,12,13)(H,14,15)(H,16,17)/b8-7-
InChIKeyMVIMZTTYIFTWGG-FPLPWBNLSA-N
XLogP1.12
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxocyclodecane-1-carboxylic acid
CID 123244832
3-methoxycarbonylcyclohexene-1,2-dicarboxylic acid
CID 57311461
(2Z)-3-[(1E)-cycloocten-1-yl]cyclooct-2-ene-1,2-dicarboxylic acid
CID 22639875
cyclohexene-1,2-dicarboxylic acid
CID 6958
2-oxocyclohexane-1-carboxylic acid;zirconium
CID 175193773
2-methylidenecyclohexane-1-carboxylic acid
CID 14111060
2-sulfonylcyclohexane-1-carboxylic acid
CID 141192020
(1R)-2-iminocyclohexane-1-carboxylic acid
CID 86316627
2-ethylidenecyclohexane-1-carboxylic acid
CID 57189544
2-hydroxycyclohexene-1-carboxylic acid
CID 54725084
3-methylcyclopentene-1,2-dicarboxylic acid
CID 4162485
4-methylcyclohexene-1,2,3-tricarboxylic acid
CID 22608859

Frequently Asked Questions

What is the IUPAC name of (1Z)-cyclooctene-1,2,3-tricarboxylic acid?
The IUPAC name of (1Z)-cyclooctene-1,2,3-tricarboxylic acid (CID 121331499) is (1Z)-cyclooctene-1,2,3-tricarboxylic acid.
What is the SMILES notation for (1Z)-cyclooctene-1,2,3-tricarboxylic acid?
The canonical SMILES for (1Z)-cyclooctene-1,2,3-tricarboxylic acid is O=C(O)/C1=C(\C(=O)O)C(C(=O)O)CCCCC1.
What is the InChIKey of (1Z)-cyclooctene-1,2,3-tricarboxylic acid?
The InChIKey is MVIMZTTYIFTWGG-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H14O6/c12-9(13)6-4-2-1-3-5-7(10(14)15)8(6)11(16)17/h6H,1-5H2,(H,12,13)(H,14,15)(H,16,17)/b8-7-.
What are the key properties of (1Z)-cyclooctene-1,2,3-tricarboxylic acid?
(1Z)-cyclooctene-1,2,3-tricarboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-cyclooctene-1,2,3-tricarboxylic acid is sourced from PubChem (CID 121331499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).