cyclohexa-1,5-diene-1,4-diol

C6H8O2 — CID 22223269

IUPACcyclohexa-1,5-diene-1,4-diol
SMILESOC1=CCC(O)C=C1
InChIInChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-3,6-8H,4H2
InChIKeyMIAQYFPRVWFWPK-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.75
Rot. Bonds

About cyclohexa-1,5-diene-1,4-diol

cyclohexa-1,5-diene-1,4-diol (PubChem CID 22223269) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is cyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Namecyclohexa-1,5-diene-1,4-diol
PubChem CID22223269
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Namecyclohexa-1,5-diene-1,4-diol
SMILESOC1=CCC(O)C=C1
InChIInChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-3,6-8H,4H2
InChIKeyMIAQYFPRVWFWPK-UHFFFAOYSA-N
XLogP0.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-diene-1,4-diol?
The IUPAC name of cyclohexa-1,5-diene-1,4-diol (CID 22223269) is cyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for cyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for cyclohexa-1,5-diene-1,4-diol is OC1=CCC(O)C=C1.
What is the InChIKey of cyclohexa-1,5-diene-1,4-diol?
The InChIKey is MIAQYFPRVWFWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-3,6-8H,4H2.
What are the key properties of cyclohexa-1,5-diene-1,4-diol?
cyclohexa-1,5-diene-1,4-diol has a molecular weight of 112.13 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 22223269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).