2,2,5,5-tetramethylcyclohexane-1,4-dione

C10H16O2 — CID 13390715

IUPAC2,2,5,5-tetramethylcyclohexane-1,4-dione
SMILESCC1(C)CC(=O)C(C)(C)CC1=O
InChIInChI=1S/C10H16O2/c1-9(2)5-8(12)10(3,4)6-7(9)11/h5-6H2,1-4H3
InChIKeyOTQZSPVHJYLKOL-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.97
Rot. Bonds

About 2,2,5,5-tetramethylcyclohexane-1,4-dione

2,2,5,5-tetramethylcyclohexane-1,4-dione (PubChem CID 13390715) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,2,5,5-tetramethylcyclohexane-1,4-dione.

Molecular Properties

Compound Name2,2,5,5-tetramethylcyclohexane-1,4-dione
PubChem CID13390715
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2,2,5,5-tetramethylcyclohexane-1,4-dione
SMILESCC1(C)CC(=O)C(C)(C)CC1=O
InChIInChI=1S/C10H16O2/c1-9(2)5-8(12)10(3,4)6-7(9)11/h5-6H2,1-4H3
InChIKeyOTQZSPVHJYLKOL-UHFFFAOYSA-N
XLogP1.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethylcyclohexane-1,4-dione?
The IUPAC name of 2,2,5,5-tetramethylcyclohexane-1,4-dione (CID 13390715) is 2,2,5,5-tetramethylcyclohexane-1,4-dione.
What is the SMILES notation for 2,2,5,5-tetramethylcyclohexane-1,4-dione?
The canonical SMILES for 2,2,5,5-tetramethylcyclohexane-1,4-dione is CC1(C)CC(=O)C(C)(C)CC1=O.
What is the InChIKey of 2,2,5,5-tetramethylcyclohexane-1,4-dione?
The InChIKey is OTQZSPVHJYLKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2)5-8(12)10(3,4)6-7(9)11/h5-6H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethylcyclohexane-1,4-dione?
2,2,5,5-tetramethylcyclohexane-1,4-dione has a molecular weight of 168.24 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethylcyclohexane-1,4-dione is sourced from PubChem (CID 13390715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).