cis-(1S,4S)-4-hydroxy-2,2-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxylic acid

C13H24O3 — CID 118334230

IUPACcis-(1S,4S)-4-hydroxy-2,2-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxylic acid
SMILESCC(C)C[C@@]1(O)CC[C@H](C(=O)O)C(C)(C)C1
InChIInChI=1S/C13H24O3/c1-9(2)7-13(16)6-5-10(11(14)15)12(3,4)8-13/h9-10,16H,5-8H2,1-4H3,(H,14,15)/t10-,13+/m1/s1
InChIKeyWFYAVNMFFKCZFQ-MFKMUULPSA-N
MW228.33 g/mol
LogP2.67
Rot. Bonds3

About cis-(1S,4S)-4-hydroxy-2,2-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxylic acid

cis-(1S,4S)-4-hydroxy-2,2-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxylic acid (PubChem CID 118334230) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is cis-(1S,4S)-4-hydroxy-2,2-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,4S)-4-hydroxy-2,2-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxylic acid
PubChem CID118334230
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Namecis-(1S,4S)-4-hydroxy-2,2-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxylic acid
SMILESCC(C)C[C@@]1(O)CC[C@H](C(=O)O)C(C)(C)C1
InChIInChI=1S/C13H24O3/c1-9(2)7-13(16)6-5-10(11(14)15)12(3,4)8-13/h9-10,16H,5-8H2,1-4H3,(H,14,15)/t10-,13+/m1/s1
InChIKeyWFYAVNMFFKCZFQ-MFKMUULPSA-N
XLogP2.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1S,4S)-4-hydroxy-2,2-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxylic 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

trans-(1S,4S)-4-ethyl-4-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid
CID 126657384
cis-(1S,4R)-4-amino-4-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid;ethane
CID 144739628
3-hydroxy-2,2-dimethyl-3-propan-2-ylcyclopentane-1-carboxylic acid
CID 118103364
4-methyl-1-(2-methylpropyl)cyclohexan-1-ol
CID 43809248
cis-(1S,4S)-2,2-dimethyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 118343603
(5R)-4,7,7-trimethyl-1-oxa-3-thiaspiro[4.5]decane-8-carboxylic acid
CID 147480393
4-[[bis(2-methylpropyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498497
methyl 4-hydroxy-2,2-dimethyl-4-propan-2-ylcyclohexane-1-carboxylate
CID 90380512
4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide
CID 90243249
2,2-dimethylcyclopentane-1,3-dicarboxylic acid
CID 5315650
(3R)-3-methyl-1-(2-methylpropyl)cyclohexan-1-ol
CID 121406243
4-methyl-1-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 65394081

Frequently Asked Questions

What is the IUPAC name of cis-(1S,4S)-4-hydroxy-2,2-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,4S)-4-hydroxy-2,2-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxylic acid (CID 118334230) is cis-(1S,4S)-4-hydroxy-2,2-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,4S)-4-hydroxy-2,2-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,4S)-4-hydroxy-2,2-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxylic acid is CC(C)C[C@@]1(O)CC[C@H](C(=O)O)C(C)(C)C1.
What is the InChIKey of cis-(1S,4S)-4-hydroxy-2,2-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxylic acid?
The InChIKey is WFYAVNMFFKCZFQ-MFKMUULPSA-N. The full InChI is InChI=1S/C13H24O3/c1-9(2)7-13(16)6-5-10(11(14)15)12(3,4)8-13/h9-10,16H,5-8H2,1-4H3,(H,14,15)/t10-,13+/m1/s1.
What are the key properties of cis-(1S,4S)-4-hydroxy-2,2-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxylic acid?
cis-(1S,4S)-4-hydroxy-2,2-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxylic acid has a molecular weight of 228.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,4S)-4-hydroxy-2,2-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 118334230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).