cis-(1S,3R)-cyclohexane-1,3-diol;copper

C6H12CuO2 — CID 68514238

IUPACcis-(1S,3R)-cyclohexane-1,3-diol;copper
SMILESO[C@@H]1CCC[C@H](O)C1.[Cu]
InChIInChI=1S/C6H12O2.Cu/c7-5-2-1-3-6(8)4-5;/h5-8H,1-4H2;/t5-,6+;
InChIKeyVXQCMEGBESSKID-KNCHESJLSA-N
MW179.71 g/mol
LogP0.28
Rot. Bonds

About cis-(1S,3R)-cyclohexane-1,3-diol;copper

cis-(1S,3R)-cyclohexane-1,3-diol;copper (PubChem CID 68514238) has the molecular formula C6H12CuO2 and a molecular weight of 179.71 g/mol. Its IUPAC name is cis-(1S,3R)-cyclohexane-1,3-diol;copper.

Molecular Properties

Compound Namecis-(1S,3R)-cyclohexane-1,3-diol;copper
PubChem CID68514238
Molecular FormulaC6H12CuO2
Molecular Weight179.71 g/mol
Exact Mass179.01
IUPAC Namecis-(1S,3R)-cyclohexane-1,3-diol;copper
SMILESO[C@@H]1CCC[C@H](O)C1.[Cu]
InChIInChI=1S/C6H12O2.Cu/c7-5-2-1-3-6(8)4-5;/h5-8H,1-4H2;/t5-,6+;
InChIKeyVXQCMEGBESSKID-KNCHESJLSA-N
XLogP0.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.71
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,3R)-cyclohexane-1,3-diol
CID 6950744
cis-(1R,3S)-cyclohexane-1,3-diol
CID 6432741
potassium cyclohexane-1,3-diol
CID 22067166
cis-(1S,3R)-cyclooctane-1,3-diol
CID 59075450
3-(3-hydroxycyclohexyl)cycloheptan-1-ol
CID 129132382
trans-(1R,3R)-3-cyclopentylcyclohexan-1-ol
CID 66963449
cis-(1R,3S)-3-iodocyclohexan-1-ol
CID 89192382
cyclobutanol;cyclopropanol
CID 175019048
ethane;(1R)-3-methylcyclohexan-1-ol
CID 145275507
cis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol
CID 69296873
methanamine;3-methylcyclohexan-1-ol
CID 174923816
trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol
CID 91701319

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-cyclohexane-1,3-diol;copper?
The IUPAC name of cis-(1S,3R)-cyclohexane-1,3-diol;copper (CID 68514238) is cis-(1S,3R)-cyclohexane-1,3-diol;copper.
What is the SMILES notation for cis-(1S,3R)-cyclohexane-1,3-diol;copper?
The canonical SMILES for cis-(1S,3R)-cyclohexane-1,3-diol;copper is O[C@@H]1CCC[C@H](O)C1.[Cu].
What is the InChIKey of cis-(1S,3R)-cyclohexane-1,3-diol;copper?
The InChIKey is VXQCMEGBESSKID-KNCHESJLSA-N. The full InChI is InChI=1S/C6H12O2.Cu/c7-5-2-1-3-6(8)4-5;/h5-8H,1-4H2;/t5-,6+;.
What are the key properties of cis-(1S,3R)-cyclohexane-1,3-diol;copper?
cis-(1S,3R)-cyclohexane-1,3-diol;copper has a molecular weight of 179.71 g/mol, XLogP of 0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-cyclohexane-1,3-diol;copper is sourced from PubChem (CID 68514238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).