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

C6H12O2 — CID 6432741

IUPACcis-(1R,3S)-cyclohexane-1,3-diol
SMILESO[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2/t5-,6+
InChIKeyRLMGYIOTPQVQJR-OLQVQODUSA-N
MW116.16 g/mol
LogP0.28
Rot. Bonds

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

cis-(1R,3S)-cyclohexane-1,3-diol (PubChem CID 6432741) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is cis-(1R,3S)-cyclohexane-1,3-diol.

Molecular Properties

Compound Namecis-(1R,3S)-cyclohexane-1,3-diol
PubChem CID6432741
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Namecis-(1R,3S)-cyclohexane-1,3-diol
SMILESO[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2/t5-,6+
InChIKeyRLMGYIOTPQVQJR-OLQVQODUSA-N
XLogP0.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-cyclohexane-1,3-diol?
The IUPAC name of cis-(1R,3S)-cyclohexane-1,3-diol (CID 6432741) is cis-(1R,3S)-cyclohexane-1,3-diol.
What is the SMILES notation for cis-(1R,3S)-cyclohexane-1,3-diol?
The canonical SMILES for cis-(1R,3S)-cyclohexane-1,3-diol is O[C@@H]1CCC[C@H](O)C1.
What is the InChIKey of cis-(1R,3S)-cyclohexane-1,3-diol?
The InChIKey is RLMGYIOTPQVQJR-OLQVQODUSA-N. The full InChI is InChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2/t5-,6+.
What are the key properties of cis-(1R,3S)-cyclohexane-1,3-diol?
cis-(1R,3S)-cyclohexane-1,3-diol has a molecular weight of 116.16 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-(1R,3S)-cyclohexane-1,3-diol is sourced from PubChem (CID 6432741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).