4-hydroxy-5,6-dimethylcyclohex-2-en-1-olate

C8H13O2- — CID 59271488

IUPAC4-hydroxy-5,6-dimethylcyclohex-2-en-1-olate
SMILESCC1C([O-])C=CC(O)C1C
InChIInChI=1S/C8H13O2/c1-5-6(2)8(10)4-3-7(5)9/h3-9H,1-2H3/q-1
InChIKeyGBATVDJKXIJQEG-UHFFFAOYSA-N
MW141.19 g/mol
LogP-0.08
Rot. Bonds

About 4-hydroxy-5,6-dimethylcyclohex-2-en-1-olate

4-hydroxy-5,6-dimethylcyclohex-2-en-1-olate (PubChem CID 59271488) has the molecular formula C8H13O2- and a molecular weight of 141.19 g/mol. Its IUPAC name is 4-hydroxy-5,6-dimethylcyclohex-2-en-1-olate.

Molecular Properties

Compound Name4-hydroxy-5,6-dimethylcyclohex-2-en-1-olate
PubChem CID59271488
Molecular FormulaC8H13O2-
Molecular Weight141.19 g/mol
Exact Mass141.09
IUPAC Name4-hydroxy-5,6-dimethylcyclohex-2-en-1-olate
SMILESCC1C([O-])C=CC(O)C1C
InChIInChI=1S/C8H13O2/c1-5-6(2)8(10)4-3-7(5)9/h3-9H,1-2H3/q-1
InChIKeyGBATVDJKXIJQEG-UHFFFAOYSA-N
XLogP-0.08
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
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 4-hydroxy-5,6-dimethylcyclohex-2-en-1-olate?
The IUPAC name of 4-hydroxy-5,6-dimethylcyclohex-2-en-1-olate (CID 59271488) is 4-hydroxy-5,6-dimethylcyclohex-2-en-1-olate.
What is the SMILES notation for 4-hydroxy-5,6-dimethylcyclohex-2-en-1-olate?
The canonical SMILES for 4-hydroxy-5,6-dimethylcyclohex-2-en-1-olate is CC1C([O-])C=CC(O)C1C.
What is the InChIKey of 4-hydroxy-5,6-dimethylcyclohex-2-en-1-olate?
The InChIKey is GBATVDJKXIJQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O2/c1-5-6(2)8(10)4-3-7(5)9/h3-9H,1-2H3/q-1.
What are the key properties of 4-hydroxy-5,6-dimethylcyclohex-2-en-1-olate?
4-hydroxy-5,6-dimethylcyclohex-2-en-1-olate has a molecular weight of 141.19 g/mol, XLogP of -0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5,6-dimethylcyclohex-2-en-1-olate is sourced from PubChem (CID 59271488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).