4,5-dimethylcyclohexa-2,6-diene-1,2-diol

C8H12O2 — CID 58085910

IUPAC4,5-dimethylcyclohexa-2,6-diene-1,2-diol
SMILESCC1C=C(O)C(O)=CC1C
InChIInChI=1S/C8H12O2/c1-5-3-7(9)8(10)4-6(5)2/h3-6,9-10H,1-2H3
InChIKeyWDUVJURWIRBRTQ-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.16
Rot. Bonds

About 4,5-dimethylcyclohexa-2,6-diene-1,2-diol

4,5-dimethylcyclohexa-2,6-diene-1,2-diol (PubChem CID 58085910) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4,5-dimethylcyclohexa-2,6-diene-1,2-diol.

Molecular Properties

Compound Name4,5-dimethylcyclohexa-2,6-diene-1,2-diol
PubChem CID58085910
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4,5-dimethylcyclohexa-2,6-diene-1,2-diol
SMILESCC1C=C(O)C(O)=CC1C
InChIInChI=1S/C8H12O2/c1-5-3-7(9)8(10)4-6(5)2/h3-6,9-10H,1-2H3
InChIKeyWDUVJURWIRBRTQ-UHFFFAOYSA-N
XLogP2.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylcyclohexa-2,6-diene-1,2-diol?
The IUPAC name of 4,5-dimethylcyclohexa-2,6-diene-1,2-diol (CID 58085910) is 4,5-dimethylcyclohexa-2,6-diene-1,2-diol.
What is the SMILES notation for 4,5-dimethylcyclohexa-2,6-diene-1,2-diol?
The canonical SMILES for 4,5-dimethylcyclohexa-2,6-diene-1,2-diol is CC1C=C(O)C(O)=CC1C.
What is the InChIKey of 4,5-dimethylcyclohexa-2,6-diene-1,2-diol?
The InChIKey is WDUVJURWIRBRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-5-3-7(9)8(10)4-6(5)2/h3-6,9-10H,1-2H3.
What are the key properties of 4,5-dimethylcyclohexa-2,6-diene-1,2-diol?
4,5-dimethylcyclohexa-2,6-diene-1,2-diol has a molecular weight of 140.18 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylcyclohexa-2,6-diene-1,2-diol is sourced from PubChem (CID 58085910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).