2-hydroxy-6-(2-methylpropyl)cyclohexane-1-carboxylic acid

C11H20O3 — CID 174925747

IUPAC2-hydroxy-6-(2-methylpropyl)cyclohexane-1-carboxylic acid
SMILESCC(C)CC1CCCC(O)C1C(=O)O
InChIInChI=1S/C11H20O3/c1-7(2)6-8-4-3-5-9(12)10(8)11(13)14/h7-10,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyFFNUDUMOIGAVCR-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.89
Rot. Bonds3

About 2-hydroxy-6-(2-methylpropyl)cyclohexane-1-carboxylic acid

2-hydroxy-6-(2-methylpropyl)cyclohexane-1-carboxylic acid (PubChem CID 174925747) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-hydroxy-6-(2-methylpropyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-6-(2-methylpropyl)cyclohexane-1-carboxylic acid
PubChem CID174925747
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-hydroxy-6-(2-methylpropyl)cyclohexane-1-carboxylic acid
SMILESCC(C)CC1CCCC(O)C1C(=O)O
InChIInChI=1S/C11H20O3/c1-7(2)6-8-4-3-5-9(12)10(8)11(13)14/h7-10,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyFFNUDUMOIGAVCR-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(2-methylpropyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-hydroxy-6-(2-methylpropyl)cyclohexane-1-carboxylic acid (CID 174925747) is 2-hydroxy-6-(2-methylpropyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-hydroxy-6-(2-methylpropyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-hydroxy-6-(2-methylpropyl)cyclohexane-1-carboxylic acid is CC(C)CC1CCCC(O)C1C(=O)O.
What is the InChIKey of 2-hydroxy-6-(2-methylpropyl)cyclohexane-1-carboxylic acid?
The InChIKey is FFNUDUMOIGAVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-7(2)6-8-4-3-5-9(12)10(8)11(13)14/h7-10,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-hydroxy-6-(2-methylpropyl)cyclohexane-1-carboxylic acid?
2-hydroxy-6-(2-methylpropyl)cyclohexane-1-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(2-methylpropyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 174925747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).