trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol

C12H24O4 — CID 121492980

IUPACtrans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
SMILESO[C@@H]1CCCC[C@H]1O.O[C@H]1CCCC[C@@H]1O
InChIInChI=1S/2C6H12O2/c2*7-5-3-1-2-4-6(5)8/h2*5-8H,1-4H2/t2*5-,6-/m10/s1
InChIKeyYQTLKLOORMYNLF-JLCFLTIHSA-N
MW232.32 g/mol
LogP0.56
Rot. Bonds

About trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol

trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol (PubChem CID 121492980) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol.

Molecular Properties

Compound Nametrans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
PubChem CID121492980
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Nametrans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
SMILESO[C@@H]1CCCC[C@H]1O.O[C@H]1CCCC[C@@H]1O
InChIInChI=1S/2C6H12O2/c2*7-5-3-1-2-4-6(5)8/h2*5-8H,1-4H2/t2*5-,6-/m10/s1
InChIKeyYQTLKLOORMYNLF-JLCFLTIHSA-N
XLogP0.56
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013
cycloundecane-1,2-diol
CID 67185134
cyclohexane-1,2-diol;ethane;propane
CID 143149782
cis-(1S,2R)-2-aminocyclohexan-1-ol
CID 2724651
trans-(1R,2R)-2-bromocyclohexan-1-ol
CID 10866921
(3R,4R)-oxocane-3,4-diol
CID 158919848
trans-(1S,2S)-2-chlorocyclooctan-1-ol
CID 15084407
2-chlorocyclooctan-1-ol
CID 15084406
ethane;(1R)-2-methylcyclohexan-1-ol
CID 142359109
2-methylcyclododecan-1-ol
CID 13130078
(2R)-2-bromocyclododecan-1-ol
CID 177392734
ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol
CID 143642035

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol?
The IUPAC name of trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol (CID 121492980) is trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol.
What is the SMILES notation for trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol?
The canonical SMILES for trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol is O[C@@H]1CCCC[C@H]1O.O[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol?
The InChIKey is YQTLKLOORMYNLF-JLCFLTIHSA-N. The full InChI is InChI=1S/2C6H12O2/c2*7-5-3-1-2-4-6(5)8/h2*5-8H,1-4H2/t2*5-,6-/m10/s1.
What are the key properties of trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol?
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol has a molecular weight of 232.32 g/mol, XLogP of 0.56, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol is sourced from PubChem (CID 121492980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).