2,3-dimethylcyclohexa-2,5-diene-1,4-diol

C8H12O2 — CID 15956222

IUPAC2,3-dimethylcyclohexa-2,5-diene-1,4-diol
SMILESCC1=C(C)C(O)C=CC1O
InChIInChI=1S/C8H12O2/c1-5-6(2)8(10)4-3-7(5)9/h3-4,7-10H,1-2H3
InChIKeyLYUFISBDGKDSAI-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.61
Rot. Bonds

About 2,3-dimethylcyclohexa-2,5-diene-1,4-diol

2,3-dimethylcyclohexa-2,5-diene-1,4-diol (PubChem CID 15956222) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2,3-dimethylcyclohexa-2,5-diene-1,4-diol.

Molecular Properties

Compound Name2,3-dimethylcyclohexa-2,5-diene-1,4-diol
PubChem CID15956222
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2,3-dimethylcyclohexa-2,5-diene-1,4-diol
SMILESCC1=C(C)C(O)C=CC1O
InChIInChI=1S/C8H12O2/c1-5-6(2)8(10)4-3-7(5)9/h3-4,7-10H,1-2H3
InChIKeyLYUFISBDGKDSAI-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylcyclohexa-2,5-diene-1,4-diol?
The IUPAC name of 2,3-dimethylcyclohexa-2,5-diene-1,4-diol (CID 15956222) is 2,3-dimethylcyclohexa-2,5-diene-1,4-diol.
What is the SMILES notation for 2,3-dimethylcyclohexa-2,5-diene-1,4-diol?
The canonical SMILES for 2,3-dimethylcyclohexa-2,5-diene-1,4-diol is CC1=C(C)C(O)C=CC1O.
What is the InChIKey of 2,3-dimethylcyclohexa-2,5-diene-1,4-diol?
The InChIKey is LYUFISBDGKDSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-5-6(2)8(10)4-3-7(5)9/h3-4,7-10H,1-2H3.
What are the key properties of 2,3-dimethylcyclohexa-2,5-diene-1,4-diol?
2,3-dimethylcyclohexa-2,5-diene-1,4-diol has a molecular weight of 140.18 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylcyclohexa-2,5-diene-1,4-diol is sourced from PubChem (CID 15956222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).