(4R,6R)-6-hydroxy-4-methylcyclohexene-1-carboxylic acid

C8H12O3 — CID 45116545

IUPAC(4R,6R)-6-hydroxy-4-methylcyclohexene-1-carboxylic acid
SMILESC[C@@H]1CC=C(C(=O)O)[C@H](O)C1
InChIInChI=1S/C8H12O3/c1-5-2-3-6(8(10)11)7(9)4-5/h3,5,7,9H,2,4H2,1H3,(H,10,11)/t5-,7-/m1/s1
InChIKeyUSANAFDCLKJQFV-IYSWYEEDSA-N
MW156.18 g/mol
LogP0.79
Rot. Bonds1

About (4R,6R)-6-hydroxy-4-methylcyclohexene-1-carboxylic acid

(4R,6R)-6-hydroxy-4-methylcyclohexene-1-carboxylic acid (PubChem CID 45116545) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (4R,6R)-6-hydroxy-4-methylcyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name(4R,6R)-6-hydroxy-4-methylcyclohexene-1-carboxylic acid
PubChem CID45116545
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(4R,6R)-6-hydroxy-4-methylcyclohexene-1-carboxylic acid
SMILESC[C@@H]1CC=C(C(=O)O)[C@H](O)C1
InChIInChI=1S/C8H12O3/c1-5-2-3-6(8(10)11)7(9)4-5/h3,5,7,9H,2,4H2,1H3,(H,10,11)/t5-,7-/m1/s1
InChIKeyUSANAFDCLKJQFV-IYSWYEEDSA-N
XLogP0.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-hydroxy-4-methylcyclohexene-1-carboxylic acid?
The IUPAC name of (4R,6R)-6-hydroxy-4-methylcyclohexene-1-carboxylic acid (CID 45116545) is (4R,6R)-6-hydroxy-4-methylcyclohexene-1-carboxylic acid.
What is the SMILES notation for (4R,6R)-6-hydroxy-4-methylcyclohexene-1-carboxylic acid?
The canonical SMILES for (4R,6R)-6-hydroxy-4-methylcyclohexene-1-carboxylic acid is C[C@@H]1CC=C(C(=O)O)[C@H](O)C1.
What is the InChIKey of (4R,6R)-6-hydroxy-4-methylcyclohexene-1-carboxylic acid?
The InChIKey is USANAFDCLKJQFV-IYSWYEEDSA-N. The full InChI is InChI=1S/C8H12O3/c1-5-2-3-6(8(10)11)7(9)4-5/h3,5,7,9H,2,4H2,1H3,(H,10,11)/t5-,7-/m1/s1.
What are the key properties of (4R,6R)-6-hydroxy-4-methylcyclohexene-1-carboxylic acid?
(4R,6R)-6-hydroxy-4-methylcyclohexene-1-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-hydroxy-4-methylcyclohexene-1-carboxylic acid is sourced from PubChem (CID 45116545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).