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

C6H10O2 — CID 7057956

IUPAC(1S,4S)-cyclohex-2-ene-1,4-diol
SMILESO[C@@H]1C=C[C@@H](O)CC1
InChIInChI=1S/C6H10O2/c7-5-1-2-6(8)4-3-5/h1-2,5-8H,3-4H2/t5-,6-/m1/s1
InChIKeyFDODVZVWGKVMBO-PHDIDXHHSA-N
MW114.14 g/mol
LogP0.06
Rot. Bonds

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

(1S,4S)-cyclohex-2-ene-1,4-diol (PubChem CID 7057956) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (1S,4S)-cyclohex-2-ene-1,4-diol.

Molecular Properties

Compound Name(1S,4S)-cyclohex-2-ene-1,4-diol
PubChem CID7057956
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(1S,4S)-cyclohex-2-ene-1,4-diol
SMILESO[C@@H]1C=C[C@@H](O)CC1
InChIInChI=1S/C6H10O2/c7-5-1-2-6(8)4-3-5/h1-2,5-8H,3-4H2/t5-,6-/m1/s1
InChIKeyFDODVZVWGKVMBO-PHDIDXHHSA-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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Related Compounds

2-Octen-4-ol, (2E)-
CID 5366203
2-Cyclohexen-1-OL
CID 13198
2-Cyclopentene-1-ol
CID 220164
4-Cyclopentene-1,3-diol
CID 278600
2-Hepten-4-ol
CID 5366235
Conduritol A
CID 10290861
Conduritol B
CID 11029971
(1S)-2-Cyclohexen-1-ol
CID 5325854
cis-4-Cyclopentene-1,3-Diol
CID 10148988
(1R)-cyclohex-2-en-1-ol
CID 10486804
(1R,2R,3S,4R)-cyclohex-5-ene-1,2,3,4-tetrol
CID 11008046
(1R,2R,3R,4S)-Cyclohex-5-ene-1,2,3,4-tetraol
CID 10057625

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-cyclohex-2-ene-1,4-diol?
The IUPAC name of (1S,4S)-cyclohex-2-ene-1,4-diol (CID 7057956) is (1S,4S)-cyclohex-2-ene-1,4-diol.
What is the SMILES notation for (1S,4S)-cyclohex-2-ene-1,4-diol?
The canonical SMILES for (1S,4S)-cyclohex-2-ene-1,4-diol is O[C@@H]1C=C[C@@H](O)CC1.
What is the InChIKey of (1S,4S)-cyclohex-2-ene-1,4-diol?
The InChIKey is FDODVZVWGKVMBO-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H10O2/c7-5-1-2-6(8)4-3-5/h1-2,5-8H,3-4H2/t5-,6-/m1/s1.
What are the key properties of (1S,4S)-cyclohex-2-ene-1,4-diol?
(1S,4S)-cyclohex-2-ene-1,4-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 (1S,4S)-cyclohex-2-ene-1,4-diol is sourced from PubChem (CID 7057956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).