2-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]acetic acid

C11H20O3 — CID 102202274

IUPAC2-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]acetic acid
SMILESC[C@H]1C[C@@H](O)CC(C)(C)[C@@H]1CC(=O)O
InChIInChI=1S/C11H20O3/c1-7-4-8(12)6-11(2,3)9(7)5-10(13)14/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9+/m0/s1
InChIKeyLVRBHOVCJIZYDY-DJLDLDEBSA-N
MW200.28 g/mol
LogP1.89
Rot. Bonds2

About 2-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]acetic acid

2-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]acetic acid (PubChem CID 102202274) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]acetic acid
PubChem CID102202274
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]acetic acid
SMILESC[C@H]1C[C@@H](O)CC(C)(C)[C@@H]1CC(=O)O
InChIInChI=1S/C11H20O3/c1-7-4-8(12)6-11(2,3)9(7)5-10(13)14/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9+/m0/s1
InChIKeyLVRBHOVCJIZYDY-DJLDLDEBSA-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-hydroxy-4-(4-hydroxy-2,2,6-trimethylcyclohexyl)butanoic acid
CID 163093953
(1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol
CID 71197468
4-[(1R,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-one
CID 162955034
2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid
CID 115020768
2-[(1S,5S)-3,3,5-trimethylcyclohexyl]acetic acid
CID 40579133
[3,3,5-trimethyl-4-(methylaminomethyl)cyclohexyl]carbamic acid
CID 70962197
2-(3,3,4,4-tetramethylcyclopentyl)acetic acid
CID 135389559
3,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 165386299
trans-(1R,3S)-3-(carboxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 15559668
4,5,5-trimethylcyclohexane-1,3-diol
CID 130122164
2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid
CID 15965673
2-[(1S,3R)-3-formyl-2,2-dimethylcyclopropyl]acetic acid
CID 44631748

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]acetic acid?
The IUPAC name of 2-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]acetic acid (CID 102202274) is 2-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]acetic acid.
What is the SMILES notation for 2-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]acetic acid?
The canonical SMILES for 2-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]acetic acid is C[C@H]1C[C@@H](O)CC(C)(C)[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]acetic acid?
The InChIKey is LVRBHOVCJIZYDY-DJLDLDEBSA-N. The full InChI is InChI=1S/C11H20O3/c1-7-4-8(12)6-11(2,3)9(7)5-10(13)14/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9+/m0/s1.
What are the key properties of 2-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]acetic acid?
2-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]acetic 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-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]acetic acid is sourced from PubChem (CID 102202274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).