acetic acid;cyclohexa-3,5-diene-1,2-diol

C10H16O6 — CID 71339851

IUPACacetic acid;cyclohexa-3,5-diene-1,2-diol
SMILESCC(=O)O.CC(=O)O.OC1C=CC=CC1O
InChIInChI=1S/C6H8O2.2C2H4O2/c7-5-3-1-2-4-6(5)8;2*1-2(3)4/h1-8H;2*1H3,(H,3,4)
InChIKeyTYTNWLBHUMKIDF-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.02
Rot. Bonds

About acetic acid;cyclohexa-3,5-diene-1,2-diol

acetic acid;cyclohexa-3,5-diene-1,2-diol (PubChem CID 71339851) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is acetic acid;cyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Nameacetic acid;cyclohexa-3,5-diene-1,2-diol
PubChem CID71339851
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Nameacetic acid;cyclohexa-3,5-diene-1,2-diol
SMILESCC(=O)O.CC(=O)O.OC1C=CC=CC1O
InChIInChI=1S/C6H8O2.2C2H4O2/c7-5-3-1-2-4-6(5)8;2*1-2(3)4/h1-8H;2*1H3,(H,3,4)
InChIKeyTYTNWLBHUMKIDF-UHFFFAOYSA-N
XLogP0.02
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;cyclohexa-3,5-diene-1,2-diol?
The IUPAC name of acetic acid;cyclohexa-3,5-diene-1,2-diol (CID 71339851) is acetic acid;cyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for acetic acid;cyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for acetic acid;cyclohexa-3,5-diene-1,2-diol is CC(=O)O.CC(=O)O.OC1C=CC=CC1O.
What is the InChIKey of acetic acid;cyclohexa-3,5-diene-1,2-diol?
The InChIKey is TYTNWLBHUMKIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2.2C2H4O2/c7-5-3-1-2-4-6(5)8;2*1-2(3)4/h1-8H;2*1H3,(H,3,4).
What are the key properties of acetic acid;cyclohexa-3,5-diene-1,2-diol?
acetic acid;cyclohexa-3,5-diene-1,2-diol has a molecular weight of 232.23 g/mol, XLogP of 0.02, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 71339851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).