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

C7H14O4 — CID 143582026

IUPAC(1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol
SMILESC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C7H14O4/c1-3-4(8)2-5(9)7(11)6(3)10/h3-11H,2H2,1H3/t3-,4+,5-,6+,7-/m0/s1
InChIKeyCGYMPYGVUQXNCR-FHKSGDNWSA-N
MW162.18 g/mol
LogP-1.53
Rot. Bonds

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

(1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol (PubChem CID 143582026) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol.

Molecular Properties

Compound Name(1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol
PubChem CID143582026
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol
SMILESC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C7H14O4/c1-3-4(8)2-5(9)7(11)6(3)10/h3-11H,2H2,1H3/t3-,4+,5-,6+,7-/m0/s1
InChIKeyCGYMPYGVUQXNCR-FHKSGDNWSA-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 ≤ 500162.18
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol?
The IUPAC name of (1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol (CID 143582026) is (1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol.
What is the SMILES notation for (1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol?
The canonical SMILES for (1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol is C[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)C[C@H]1O.
What is the InChIKey of (1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol?
The InChIKey is CGYMPYGVUQXNCR-FHKSGDNWSA-N. The full InChI is InChI=1S/C7H14O4/c1-3-4(8)2-5(9)7(11)6(3)10/h3-11H,2H2,1H3/t3-,4+,5-,6+,7-/m0/s1.
What are the key properties of (1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol?
(1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol has a molecular weight of 162.18 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)-4-methylcyclohexane-1,2,3,5-tetrol is sourced from PubChem (CID 143582026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).