(1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid

C10H16O5 — CID 101073122

IUPAC(1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid
SMILESC[C@@H]1C[C@](C)(O)C[C@H](C(=O)O)[C@@H]1C(=O)O
InChIInChI=1S/C10H16O5/c1-5-3-10(2,15)4-6(8(11)12)7(5)9(13)14/h5-7,15H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6+,7-,10+/m1/s1
InChIKeyFDHHRJNHFOASNI-LGVNZDMBSA-N
MW216.23 g/mol
LogP0.57
Rot. Bonds2

About (1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid

(1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid (PubChem CID 101073122) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid
PubChem CID101073122
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid
SMILESC[C@@H]1C[C@](C)(O)C[C@H](C(=O)O)[C@@H]1C(=O)O
InChIInChI=1S/C10H16O5/c1-5-3-10(2,15)4-6(8(11)12)7(5)9(13)14/h5-7,15H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6+,7-,10+/m1/s1
InChIKeyFDHHRJNHFOASNI-LGVNZDMBSA-N
XLogP0.57
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 161059263
(3R)-1,3,4,5-tetramethylcyclohexan-1-ol
CID 70226236
(2S)-2,5-dimethylcyclopentane-1-carboxylic acid
CID 55301029
3,6-dimethylcyclohexane-1,2-dicarboxylic acid
CID 18356822
(1S,2S,5R)-2-acetyl-5-methylcyclopentane-1-carboxylic acid
CID 131165134
4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide
CID 144739612
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705
(1S,2R,4R,6R)-4,6-dimethylcyclohexane-1,2,4-triol
CID 142953228
cis-(1R,4S)-2,5-dimethylcyclohexane-1,4-dicarboxylic acid
CID 22841267
(1S,2S,4R,5R)-4,5-dimethylcyclohexane-1,2-dicarboxylic acid
CID 124821426
trans-(1R,2R)-cyclopentane-1,2,3,4-tetracarboxylic acid
CID 54441949

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid?
The IUPAC name of (1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid (CID 101073122) is (1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid.
What is the SMILES notation for (1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid?
The canonical SMILES for (1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid is C[C@@H]1C[C@](C)(O)C[C@H](C(=O)O)[C@@H]1C(=O)O.
What is the InChIKey of (1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid?
The InChIKey is FDHHRJNHFOASNI-LGVNZDMBSA-N. The full InChI is InChI=1S/C10H16O5/c1-5-3-10(2,15)4-6(8(11)12)7(5)9(13)14/h5-7,15H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6+,7-,10+/m1/s1.
What are the key properties of (1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid?
(1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid has a molecular weight of 216.23 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid is sourced from PubChem (CID 101073122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).