cyclohexane-1,4-diol

C6H12O2 — CID 11162

IUPACcyclohexane-1,4-diol
SMILESOC1CCC(O)CC1
InChIInChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2
InChIKeyVKONPUDBRVKQLM-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.28
Rot. Bonds

About cyclohexane-1,4-diol

cyclohexane-1,4-diol (PubChem CID 11162) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is cyclohexane-1,4-diol.

Molecular Properties

Compound Namecyclohexane-1,4-diol
PubChem CID11162
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Namecyclohexane-1,4-diol
SMILESOC1CCC(O)CC1
InChIInChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2
InChIKeyVKONPUDBRVKQLM-UHFFFAOYSA-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 cyclohexane-1,4-diol?
The IUPAC name of cyclohexane-1,4-diol (CID 11162) is cyclohexane-1,4-diol.
What is the SMILES notation for cyclohexane-1,4-diol?
The canonical SMILES for cyclohexane-1,4-diol is OC1CCC(O)CC1.
What is the InChIKey of cyclohexane-1,4-diol?
The InChIKey is VKONPUDBRVKQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2.
What are the key properties of cyclohexane-1,4-diol?
cyclohexane-1,4-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 cyclohexane-1,4-diol is sourced from PubChem (CID 11162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).