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

C6H10O2 — CID 11018833

IUPAC(1S,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-/m0/s1
InChIKeyNWVFBFHOQGKOIF-WDSKDSINSA-N
MW114.14 g/mol
LogP0.06
Rot. Bonds

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

(1S,2S)-cyclohex-4-ene-1,2-diol (PubChem CID 11018833) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (1S,2S)-cyclohex-4-ene-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-cyclohex-4-ene-1,2-diol
PubChem CID11018833
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(1S,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-/m0/s1
InChIKeyNWVFBFHOQGKOIF-WDSKDSINSA-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

3-Cyclohexen-1-ol
CID 556685
(1R,2R)-cyclohex-4-ene-1,2-diol
CID 11274988
3-Cyclohexene-1,2-diol
CID 12407016
trans-(1R(S),6R(S))-6-Hydroxycyclohex-3-enyl hydrogen sulfate (4)
CID 129012250
(1S,2S)-Cyclohex-3-ene-1,2-diol
CID 10855422
(1R,2R)-cyclohex-3-ene-1,2-diol
CID 9812769
trans-(1S(R),6S(R))-6-Hydroxycyclohex-3-enyl nitrate
CID 45268767
3-Cyclohexenyl hydroperoxide
CID 107224
Cyclohex-4-ene-1,2-diol
CID 349713
3-Cyclopentene-1,2-diol
CID 557495
cis-Cyclohex-4-ene-1,2-diol
CID 5325871
cis-1-Cyclopentene-3,4-diol
CID 14934562

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-cyclohex-4-ene-1,2-diol?
The IUPAC name of (1S,2S)-cyclohex-4-ene-1,2-diol (CID 11018833) is (1S,2S)-cyclohex-4-ene-1,2-diol.
What is the SMILES notation for (1S,2S)-cyclohex-4-ene-1,2-diol?
The canonical SMILES for (1S,2S)-cyclohex-4-ene-1,2-diol is O[C@H]1CC=CC[C@@H]1O.
What is the InChIKey of (1S,2S)-cyclohex-4-ene-1,2-diol?
The InChIKey is NWVFBFHOQGKOIF-WDSKDSINSA-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-/m0/s1.
What are the key properties of (1S,2S)-cyclohex-4-ene-1,2-diol?
(1S,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 (1S,2S)-cyclohex-4-ene-1,2-diol is sourced from PubChem (CID 11018833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).