5,6-dimethylcyclohexen-1-olate

C8H13O- — CID 59271554

IUPAC5,6-dimethylcyclohexen-1-olate
SMILESCC1CCC=C([O-])C1C
InChIInChI=1S/C8H14O/c1-6-4-3-5-8(9)7(6)2/h5-7,9H,3-4H2,1-2H3/p-1
InChIKeyKMCROPJKNRNKPY-UHFFFAOYSA-M
MW125.19 g/mol
LogP1.30
Rot. Bonds

About 5,6-dimethylcyclohexen-1-olate

5,6-dimethylcyclohexen-1-olate (PubChem CID 59271554) has the molecular formula C8H13O- and a molecular weight of 125.19 g/mol. Its IUPAC name is 5,6-dimethylcyclohexen-1-olate.

Molecular Properties

Compound Name5,6-dimethylcyclohexen-1-olate
PubChem CID59271554
Molecular FormulaC8H13O-
Molecular Weight125.19 g/mol
Exact Mass125.10
IUPAC Name5,6-dimethylcyclohexen-1-olate
SMILESCC1CCC=C([O-])C1C
InChIInChI=1S/C8H14O/c1-6-4-3-5-8(9)7(6)2/h5-7,9H,3-4H2,1-2H3/p-1
InChIKeyKMCROPJKNRNKPY-UHFFFAOYSA-M
XLogP1.30
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylcyclohexen-1-olate?
The IUPAC name of 5,6-dimethylcyclohexen-1-olate (CID 59271554) is 5,6-dimethylcyclohexen-1-olate.
What is the SMILES notation for 5,6-dimethylcyclohexen-1-olate?
The canonical SMILES for 5,6-dimethylcyclohexen-1-olate is CC1CCC=C([O-])C1C.
What is the InChIKey of 5,6-dimethylcyclohexen-1-olate?
The InChIKey is KMCROPJKNRNKPY-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14O/c1-6-4-3-5-8(9)7(6)2/h5-7,9H,3-4H2,1-2H3/p-1.
What are the key properties of 5,6-dimethylcyclohexen-1-olate?
5,6-dimethylcyclohexen-1-olate has a molecular weight of 125.19 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylcyclohexen-1-olate is sourced from PubChem (CID 59271554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).