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

C6H10O4 — CID 10057625

IUPAC(1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol
SMILESO[C@H]1[C@H](O)[C@@H](O)C=C[C@H]1O
InChIInChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4+,5-,6-/m1/s1
InChIKeyLRUBQXAKGXQBHA-JGWLITMVSA-N
MW146.14 g/mol
LogP-2.00
Rot. Bonds

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

(1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol (PubChem CID 10057625) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol
PubChem CID10057625
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol
SMILESO[C@H]1[C@H](O)[C@@H](O)C=C[C@H]1O
InChIInChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4+,5-,6-/m1/s1
InChIKeyLRUBQXAKGXQBHA-JGWLITMVSA-N
XLogP-2.00
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol?
The IUPAC name of (1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol (CID 10057625) is (1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol.
What is the SMILES notation for (1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol?
The canonical SMILES for (1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol is O[C@H]1[C@H](O)[C@@H](O)C=C[C@H]1O.
What is the InChIKey of (1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol?
The InChIKey is LRUBQXAKGXQBHA-JGWLITMVSA-N. The full InChI is InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4+,5-,6-/m1/s1.
What are the key properties of (1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol?
(1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol has a molecular weight of 146.14 g/mol, XLogP of -2.00, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol is sourced from PubChem (CID 10057625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).