4-(3-hydroxyoxiran-2-yl)cyclohexane-1-carboxylic acid

C9H14O4 — CID 146233888

IUPAC4-(3-hydroxyoxiran-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C2OC2O)CC1
InChIInChI=1S/C9H14O4/c10-8(11)6-3-1-5(2-4-6)7-9(12)13-7/h5-7,9,12H,1-4H2,(H,10,11)
InChIKeyYUXVXQBMQLYVPG-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.59
Rot. Bonds2

About 4-(3-hydroxyoxiran-2-yl)cyclohexane-1-carboxylic acid

4-(3-hydroxyoxiran-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 146233888) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-(3-hydroxyoxiran-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxyoxiran-2-yl)cyclohexane-1-carboxylic acid
PubChem CID146233888
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name4-(3-hydroxyoxiran-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C2OC2O)CC1
InChIInChI=1S/C9H14O4/c10-8(11)6-3-1-5(2-4-6)7-9(12)13-7/h5-7,9,12H,1-4H2,(H,10,11)
InChIKeyYUXVXQBMQLYVPG-UHFFFAOYSA-N
XLogP0.59
TPSA70.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
4-(3-methoxyoxiran-2-yl)cycloheptane-1-carboxylic acid
CID 91366550
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
1,3-dihydroxy-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-carboxylic acid
CID 151411804
4-[3-(4-carboxycyclohexyl)cyclohexyl]cyclohexane-1-carboxylic acid
CID 22445971
cyclohexane-1,4-dicarboxylic acid;formic acid
CID 157153528
4-[4-[4-[4-(4-formylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane-1-carboxylic acid
CID 58462814
bicyclo[4.1.0]heptane-3-carboxylic acid
CID 13203182
cyclopentanecarboxylic acid
CID 18840
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
(4-carboxycyclohexyl)azanium
CID 4518459

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyoxiran-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(3-hydroxyoxiran-2-yl)cyclohexane-1-carboxylic acid (CID 146233888) is 4-(3-hydroxyoxiran-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxyoxiran-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(3-hydroxyoxiran-2-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C2OC2O)CC1.
What is the InChIKey of 4-(3-hydroxyoxiran-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is YUXVXQBMQLYVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c10-8(11)6-3-1-5(2-4-6)7-9(12)13-7/h5-7,9,12H,1-4H2,(H,10,11).
What are the key properties of 4-(3-hydroxyoxiran-2-yl)cyclohexane-1-carboxylic acid?
4-(3-hydroxyoxiran-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyoxiran-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 146233888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).