(1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol

C7H14O4 — CID 14158486

IUPAC(1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol
SMILESC[C@@H]1C[C@H](O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O4/c1-3-2-4(8)6(10)7(11)5(3)9/h3-11H,2H2,1H3/t3-,4+,5+,6+,7-/m1/s1
InChIKeyUTJYMNZLKFABJE-PFCGLBSHSA-N
MW162.19 g/mol
LogP-1.53
Rot. Bonds

About (1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol

(1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol (PubChem CID 14158486) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is (1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol
PubChem CID14158486
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Name(1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol
SMILESC[C@@H]1C[C@H](O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O4/c1-3-2-4(8)6(10)7(11)5(3)9/h3-11H,2H2,1H3/t3-,4+,5+,6+,7-/m1/s1
InChIKeyUTJYMNZLKFABJE-PFCGLBSHSA-N
XLogP-1.53
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol 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

(1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol
CID 10964847
(1S,2S,4R,5R)-4-methoxy-5-methylcyclohexane-1,2,3-triol
CID 88986232
4,5-dimethylcyclohexane-1,2-diol
CID 13429582
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol
CID 143582026
(1S,2R,3S,5R)-3-(3-hydroxypentan-3-yl)-5-methylcyclopentane-1,2-diol
CID 90368841
(1S,2R,3S,5R)-3-(2-methoxypropan-2-yl)-5-methylcyclopentane-1,2-diol
CID 90368969
(2R,3S,6S)-4-(hydroxymethyl)-6-methylcyclohexane-1,2,3-triol
CID 89082502
(1R,2S,3R,4R,6S)-4-(hydroxymethyl)-6-methylcyclohexane-1,2,3-triol
CID 159801457
(1R,2S,4R,5S)-6-methylcyclohexane-1,2,3,4,5-pentol
CID 59630573
(1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol
CID 101174651
(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol
CID 131177200

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol?
The IUPAC name of (1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol (CID 14158486) is (1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol.
What is the SMILES notation for (1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol?
The canonical SMILES for (1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol is C[C@@H]1C[C@H](O)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol?
The InChIKey is UTJYMNZLKFABJE-PFCGLBSHSA-N. The full InChI is InChI=1S/C7H14O4/c1-3-2-4(8)6(10)7(11)5(3)9/h3-11H,2H2,1H3/t3-,4+,5+,6+,7-/m1/s1.
What are the key properties of (1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol?
(1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol has a molecular weight of 162.19 g/mol, XLogP of -1.53, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol is sourced from PubChem (CID 14158486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).