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

C6H8Ac2O2 — CID 20684968

IUPACactinium;cyclohexa-3,5-diene-1,2-diol
SMILESOC1C=CC=CC1O.[Ac].[Ac]
InChIInChI=1S/C6H8O2.2Ac/c7-5-3-1-2-4-6(5)8;;/h1-8H;;
InChIKeyPPDWOMYHCCMWNM-UHFFFAOYSA-N
MW566.13 g/mol
LogP-0.17
Rot. Bonds

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

actinium;cyclohexa-3,5-diene-1,2-diol (PubChem CID 20684968) has the molecular formula C6H8Ac2O2 and a molecular weight of 566.13 g/mol. Its IUPAC name is actinium;cyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Nameactinium;cyclohexa-3,5-diene-1,2-diol
PubChem CID20684968
Molecular FormulaC6H8Ac2O2
Molecular Weight566.13 g/mol
Exact Mass566.11
IUPAC Nameactinium;cyclohexa-3,5-diene-1,2-diol
SMILESOC1C=CC=CC1O.[Ac].[Ac]
InChIInChI=1S/C6H8O2.2Ac/c7-5-3-1-2-4-6(5)8;;/h1-8H;;
InChIKeyPPDWOMYHCCMWNM-UHFFFAOYSA-N
XLogP-0.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.13
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 actinium;cyclohexa-3,5-diene-1,2-diol?
The IUPAC name of actinium;cyclohexa-3,5-diene-1,2-diol (CID 20684968) is actinium;cyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for actinium;cyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for actinium;cyclohexa-3,5-diene-1,2-diol is OC1C=CC=CC1O.[Ac].[Ac].
What is the InChIKey of actinium;cyclohexa-3,5-diene-1,2-diol?
The InChIKey is PPDWOMYHCCMWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2.2Ac/c7-5-3-1-2-4-6(5)8;;/h1-8H;;.
What are the key properties of actinium;cyclohexa-3,5-diene-1,2-diol?
actinium;cyclohexa-3,5-diene-1,2-diol has a molecular weight of 566.13 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 actinium;cyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 20684968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).