cyclohexa-3,5-diene-1,2-diol

C6H8O2 — CID 418

IUPACcyclohexa-3,5-diene-1,2-diol
SMILESOC1C=CC=CC1O
InChIInChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-8H
InChIKeyYDRSQRPHLBEPTP-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.17
Rot. Bonds

About cyclohexa-3,5-diene-1,2-diol

cyclohexa-3,5-diene-1,2-diol (PubChem CID 418) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is cyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Namecyclohexa-3,5-diene-1,2-diol
PubChem CID418
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Namecyclohexa-3,5-diene-1,2-diol
SMILESOC1C=CC=CC1O
InChIInChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-8H
InChIKeyYDRSQRPHLBEPTP-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-3,5-diene-1,2-diol?
The IUPAC name of cyclohexa-3,5-diene-1,2-diol (CID 418) is cyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for cyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for cyclohexa-3,5-diene-1,2-diol is OC1C=CC=CC1O.
What is the InChIKey of cyclohexa-3,5-diene-1,2-diol?
The InChIKey is YDRSQRPHLBEPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-8H.
What are the key properties of cyclohexa-3,5-diene-1,2-diol?
cyclohexa-3,5-diene-1,2-diol has a molecular weight of 112.13 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).