(1R,2S)-cyclohex-4-ene-1,2-diol

C6H10O2 — CID 5325871

IUPAC(1R,2S)-cyclohex-4-ene-1,2-diol
SMILESO[C@@H]1CC=CC[C@@H]1O
InChIInChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h1-2,5-8H,3-4H2/t5-,6+
InChIKeyNWVFBFHOQGKOIF-OLQVQODUSA-N
MW114.14 g/mol
LogP0.06
Rot. Bonds

About (1R,2S)-cyclohex-4-ene-1,2-diol

(1R,2S)-cyclohex-4-ene-1,2-diol (PubChem CID 5325871) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (1R,2S)-cyclohex-4-ene-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-cyclohex-4-ene-1,2-diol
PubChem CID5325871
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(1R,2S)-cyclohex-4-ene-1,2-diol
SMILESO[C@@H]1CC=CC[C@@H]1O
InChIInChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h1-2,5-8H,3-4H2/t5-,6+
InChIKeyNWVFBFHOQGKOIF-OLQVQODUSA-N
XLogP0.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (1R,2S)-cyclohex-4-ene-1,2-diol?
The IUPAC name of (1R,2S)-cyclohex-4-ene-1,2-diol (CID 5325871) is (1R,2S)-cyclohex-4-ene-1,2-diol.
What is the SMILES notation for (1R,2S)-cyclohex-4-ene-1,2-diol?
The canonical SMILES for (1R,2S)-cyclohex-4-ene-1,2-diol is O[C@@H]1CC=CC[C@@H]1O.
What is the InChIKey of (1R,2S)-cyclohex-4-ene-1,2-diol?
The InChIKey is NWVFBFHOQGKOIF-OLQVQODUSA-N. The full InChI is InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h1-2,5-8H,3-4H2/t5-,6+.
What are the key properties of (1R,2S)-cyclohex-4-ene-1,2-diol?
(1R,2S)-cyclohex-4-ene-1,2-diol has a molecular weight of 114.14 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-cyclohex-4-ene-1,2-diol is sourced from PubChem (CID 5325871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).