5,6-dimethylcyclohex-2-ene-1,4-dione

C8H10O2 — CID 130037029

IUPAC5,6-dimethylcyclohex-2-ene-1,4-dione
SMILESCC1C(=O)C=CC(=O)C1C
InChIInChI=1S/C8H10O2/c1-5-6(2)8(10)4-3-7(5)9/h3-6H,1-2H3
InChIKeyXTPLABZANFXAQG-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.97
Rot. Bonds

About 5,6-dimethylcyclohex-2-ene-1,4-dione

5,6-dimethylcyclohex-2-ene-1,4-dione (PubChem CID 130037029) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5,6-dimethylcyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name5,6-dimethylcyclohex-2-ene-1,4-dione
PubChem CID130037029
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name5,6-dimethylcyclohex-2-ene-1,4-dione
SMILESCC1C(=O)C=CC(=O)C1C
InChIInChI=1S/C8H10O2/c1-5-6(2)8(10)4-3-7(5)9/h3-6H,1-2H3
InChIKeyXTPLABZANFXAQG-UHFFFAOYSA-N
XLogP0.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5R)-4,5-dimethylcyclopent-2-en-1-one
CID 12892584
(4S)-4,5-dimethylcyclopent-2-en-1-one
CID 59939751
(4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one
CID 13037815
(5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione
CID 89001782
4-amino-6-methylcyclohexa-2,4-dien-1-one
CID 150471908
1,2-dimethyl-2H-pyridine-3,6-dione
CID 174843898
2-methyl-6-[2-(5-methyl-4,6-dioxocyclohex-2-en-1-ylidene)ethylidene]cyclohex-4-ene-1,3-dione
CID 173366384
2-methyl-1,2-dihydropyrrol-3-one
CID 23184788
4,5-dimethyl-3-phenylcyclopent-2-en-1-one
CID 139667447
(2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one
CID 10821644
(2R,6S)-2,6-dimethyl-2H-pyran-5-one
CID 10749188
acetylene;(5R)-5-methylcyclopent-2-en-1-one
CID 142013525

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylcyclohex-2-ene-1,4-dione?
The IUPAC name of 5,6-dimethylcyclohex-2-ene-1,4-dione (CID 130037029) is 5,6-dimethylcyclohex-2-ene-1,4-dione.
What is the SMILES notation for 5,6-dimethylcyclohex-2-ene-1,4-dione?
The canonical SMILES for 5,6-dimethylcyclohex-2-ene-1,4-dione is CC1C(=O)C=CC(=O)C1C.
What is the InChIKey of 5,6-dimethylcyclohex-2-ene-1,4-dione?
The InChIKey is XTPLABZANFXAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-5-6(2)8(10)4-3-7(5)9/h3-6H,1-2H3.
What are the key properties of 5,6-dimethylcyclohex-2-ene-1,4-dione?
5,6-dimethylcyclohex-2-ene-1,4-dione has a molecular weight of 138.17 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylcyclohex-2-ene-1,4-dione is sourced from PubChem (CID 130037029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).