2-(2,4-dimethylcyclohexyl)-2-hydroxypropanoic acid

C11H20O3 — CID 79303348

IUPAC2-(2,4-dimethylcyclohexyl)-2-hydroxypropanoic acid
SMILESCC1CCC(C(C)(O)C(=O)O)C(C)C1
InChIInChI=1S/C11H20O3/c1-7-4-5-9(8(2)6-7)11(3,14)10(12)13/h7-9,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyAWKMCERFXNSVTL-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.89
Rot. Bonds2

About 2-(2,4-dimethylcyclohexyl)-2-hydroxypropanoic acid

2-(2,4-dimethylcyclohexyl)-2-hydroxypropanoic acid (PubChem CID 79303348) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(2,4-dimethylcyclohexyl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(2,4-dimethylcyclohexyl)-2-hydroxypropanoic acid
PubChem CID79303348
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(2,4-dimethylcyclohexyl)-2-hydroxypropanoic acid
SMILESCC1CCC(C(C)(O)C(=O)O)C(C)C1
InChIInChI=1S/C11H20O3/c1-7-4-5-9(8(2)6-7)11(3,14)10(12)13/h7-9,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyAWKMCERFXNSVTL-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

2-(2,4-dimethylcyclohexyl)-2-hydroxybutanoic acid
CID 79304052
2-hydroxy-2-(2,4,4-trimethylcyclohexyl)propanoic acid
CID 81313663
3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104644528
(1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
CID 167591584
(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxylic acid
CID 7375874
2-(2,5-dimethyloxolan-3-yl)-2-hydroxypropanoic acid
CID 130917950
2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene
CID 134964067
2-(2,4-dimethylcyclohexyl)propan-2-ylbenzene
CID 134857032
2-methyl-2-(2-methylcyclopropyl)propanoic acid
CID 57203804
acetic acid;2-tert-butyl-4-methylcyclohexan-1-ol
CID 53446928
3-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66175117
[(1R,2S,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexyl] acetate
CID 102202477

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylcyclohexyl)-2-hydroxypropanoic acid?
The IUPAC name of 2-(2,4-dimethylcyclohexyl)-2-hydroxypropanoic acid (CID 79303348) is 2-(2,4-dimethylcyclohexyl)-2-hydroxypropanoic acid.
What is the SMILES notation for 2-(2,4-dimethylcyclohexyl)-2-hydroxypropanoic acid?
The canonical SMILES for 2-(2,4-dimethylcyclohexyl)-2-hydroxypropanoic acid is CC1CCC(C(C)(O)C(=O)O)C(C)C1.
What is the InChIKey of 2-(2,4-dimethylcyclohexyl)-2-hydroxypropanoic acid?
The InChIKey is AWKMCERFXNSVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-7-4-5-9(8(2)6-7)11(3,14)10(12)13/h7-9,14H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-(2,4-dimethylcyclohexyl)-2-hydroxypropanoic acid?
2-(2,4-dimethylcyclohexyl)-2-hydroxypropanoic acid has a molecular weight of 200.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylcyclohexyl)-2-hydroxypropanoic acid is sourced from PubChem (CID 79303348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).