1-(2-hydroxycyclopentyl)cyclohexane-1-carboxylic acid

C12H20O3 — CID 79426205

IUPAC1-(2-hydroxycyclopentyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(C2CCCC2O)CCCCC1
InChIInChI=1S/C12H20O3/c13-10-6-4-5-9(10)12(11(14)15)7-2-1-3-8-12/h9-10,13H,1-8H2,(H,14,15)
InChIKeyMWRGMAXDFARHIT-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.18
Rot. Bonds2

About 1-(2-hydroxycyclopentyl)cyclohexane-1-carboxylic acid

1-(2-hydroxycyclopentyl)cyclohexane-1-carboxylic acid (PubChem CID 79426205) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(2-hydroxycyclopentyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxycyclopentyl)cyclohexane-1-carboxylic acid
PubChem CID79426205
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-(2-hydroxycyclopentyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(C2CCCC2O)CCCCC1
InChIInChI=1S/C12H20O3/c13-10-6-4-5-9(10)12(11(14)15)7-2-1-3-8-12/h9-10,13H,1-8H2,(H,14,15)
InChIKeyMWRGMAXDFARHIT-UHFFFAOYSA-N
XLogP2.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclopentyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-hydroxycyclopentyl)cyclohexane-1-carboxylic acid (CID 79426205) is 1-(2-hydroxycyclopentyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxycyclopentyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-hydroxycyclopentyl)cyclohexane-1-carboxylic acid is O=C(O)C1(C2CCCC2O)CCCCC1.
What is the InChIKey of 1-(2-hydroxycyclopentyl)cyclohexane-1-carboxylic acid?
The InChIKey is MWRGMAXDFARHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c13-10-6-4-5-9(10)12(11(14)15)7-2-1-3-8-12/h9-10,13H,1-8H2,(H,14,15).
What are the key properties of 1-(2-hydroxycyclopentyl)cyclohexane-1-carboxylic acid?
1-(2-hydroxycyclopentyl)cyclohexane-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclopentyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79426205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).