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

C14H26O3 — CID 11053833

IUPAC(2R)-4-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-2-methylbutanoic acid
SMILESC[C@H](CC[C@H]1C(C)(C)CCC[C@]1(C)O)C(=O)O
InChIInChI=1S/C14H26O3/c1-10(12(15)16)6-7-11-13(2,3)8-5-9-14(11,4)17/h10-11,17H,5-9H2,1-4H3,(H,15,16)/t10-,11+,14+/m1/s1
InChIKeyPHRPMBLSUPFUQJ-SUNKGSAMSA-N
MW242.36 g/mol
LogP3.06
Rot. Bonds4

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

(2R)-4-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-2-methylbutanoic acid (PubChem CID 11053833) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2R)-4-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-4-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-2-methylbutanoic acid
PubChem CID11053833
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(2R)-4-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-2-methylbutanoic acid
SMILESC[C@H](CC[C@H]1C(C)(C)CCC[C@]1(C)O)C(=O)O
InChIInChI=1S/C14H26O3/c1-10(12(15)16)6-7-11-13(2,3)8-5-9-14(11,4)17/h10-11,17H,5-9H2,1-4H3,(H,15,16)/t10-,11+,14+/m1/s1
InChIKeyPHRPMBLSUPFUQJ-SUNKGSAMSA-N
XLogP3.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-4-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-2-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2S)-1,3,3-trimethyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
CID 132523465
cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol
CID 101364468
2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid
CID 141216696
4-(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)butan-2-yl formate
CID 166980207
(1R,2S,4aS,8aS)-2,5,5,8a-tetramethyl-1-(3-methylpent-4-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 173182410
2,5,5,8a-tetramethyl-1-(3-methylpent-4-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 14137608
(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-(3-methylpent-4-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 155008016
2-[(1S,2S,4aR,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]acetic acid
CID 812514
2,5,5,8a-tetramethyl-1-(2-methylpropyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 162276385
[(3S)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentyl] 3-phenylpropanoate
CID 163044778
2-(1,2,2-trimethylcyclopentyl)pentanoic acid
CID 139578285
(1S,2S,4aR,4bS,8aS,10aR)-2,4b,8,8,10a-pentamethyl-1-(3-methylpentyl)-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-ol
CID 14564449

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-2-methylbutanoic acid?
The IUPAC name of (2R)-4-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-2-methylbutanoic acid (CID 11053833) is (2R)-4-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-2-methylbutanoic acid.
What is the SMILES notation for (2R)-4-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-2-methylbutanoic acid?
The canonical SMILES for (2R)-4-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-2-methylbutanoic acid is C[C@H](CC[C@H]1C(C)(C)CCC[C@]1(C)O)C(=O)O.
What is the InChIKey of (2R)-4-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-2-methylbutanoic acid?
The InChIKey is PHRPMBLSUPFUQJ-SUNKGSAMSA-N. The full InChI is InChI=1S/C14H26O3/c1-10(12(15)16)6-7-11-13(2,3)8-5-9-14(11,4)17/h10-11,17H,5-9H2,1-4H3,(H,15,16)/t10-,11+,14+/m1/s1.
What are the key properties of (2R)-4-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-2-methylbutanoic acid?
(2R)-4-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-2-methylbutanoic acid has a molecular weight of 242.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-2-methylbutanoic acid is sourced from PubChem (CID 11053833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).