1-(1-hydroxyethyl)cyclohexane-1,2-dicarboxylic acid

C10H16O5 — CID 57297069

IUPAC1-(1-hydroxyethyl)cyclohexane-1,2-dicarboxylic acid
SMILESCC(O)C1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C10H16O5/c1-6(11)10(9(14)15)5-3-2-4-7(10)8(12)13/h6-7,11H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyQFBGESQXIWBPMY-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.71
Rot. Bonds3

About 1-(1-hydroxyethyl)cyclohexane-1,2-dicarboxylic acid

1-(1-hydroxyethyl)cyclohexane-1,2-dicarboxylic acid (PubChem CID 57297069) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)cyclohexane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1-(1-hydroxyethyl)cyclohexane-1,2-dicarboxylic acid
PubChem CID57297069
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name1-(1-hydroxyethyl)cyclohexane-1,2-dicarboxylic acid
SMILESCC(O)C1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C10H16O5/c1-6(11)10(9(14)15)5-3-2-4-7(10)8(12)13/h6-7,11H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyQFBGESQXIWBPMY-UHFFFAOYSA-N
XLogP0.71
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethyl)cyclohexane-1,2-dicarboxylic acid?
The IUPAC name of 1-(1-hydroxyethyl)cyclohexane-1,2-dicarboxylic acid (CID 57297069) is 1-(1-hydroxyethyl)cyclohexane-1,2-dicarboxylic acid.
What is the SMILES notation for 1-(1-hydroxyethyl)cyclohexane-1,2-dicarboxylic acid?
The canonical SMILES for 1-(1-hydroxyethyl)cyclohexane-1,2-dicarboxylic acid is CC(O)C1(C(=O)O)CCCCC1C(=O)O.
What is the InChIKey of 1-(1-hydroxyethyl)cyclohexane-1,2-dicarboxylic acid?
The InChIKey is QFBGESQXIWBPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-6(11)10(9(14)15)5-3-2-4-7(10)8(12)13/h6-7,11H,2-5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 1-(1-hydroxyethyl)cyclohexane-1,2-dicarboxylic acid?
1-(1-hydroxyethyl)cyclohexane-1,2-dicarboxylic acid has a molecular weight of 216.23 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)cyclohexane-1,2-dicarboxylic acid is sourced from PubChem (CID 57297069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).