4,6-dimethylcyclohexa-2,3-dien-1-one

C8H10O — CID 89088486

IUPAC4,6-dimethylcyclohexa-2,3-dien-1-one
SMILESCC1=C=CC(=O)C(C)C1
InChIInChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h4,7H,5H2,1-2H3
InChIKeyKOYYYJBKFJUNRY-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.70
Rot. Bonds

About 4,6-dimethylcyclohexa-2,3-dien-1-one

4,6-dimethylcyclohexa-2,3-dien-1-one (PubChem CID 89088486) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 4,6-dimethylcyclohexa-2,3-dien-1-one.

Molecular Properties

Compound Name4,6-dimethylcyclohexa-2,3-dien-1-one
PubChem CID89088486
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name4,6-dimethylcyclohexa-2,3-dien-1-one
SMILESCC1=C=CC(=O)C(C)C1
InChIInChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h4,7H,5H2,1-2H3
InChIKeyKOYYYJBKFJUNRY-UHFFFAOYSA-N
XLogP1.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylcyclohexa-2,3-dien-1-one?
The IUPAC name of 4,6-dimethylcyclohexa-2,3-dien-1-one (CID 89088486) is 4,6-dimethylcyclohexa-2,3-dien-1-one.
What is the SMILES notation for 4,6-dimethylcyclohexa-2,3-dien-1-one?
The canonical SMILES for 4,6-dimethylcyclohexa-2,3-dien-1-one is CC1=C=CC(=O)C(C)C1.
What is the InChIKey of 4,6-dimethylcyclohexa-2,3-dien-1-one?
The InChIKey is KOYYYJBKFJUNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h4,7H,5H2,1-2H3.
What are the key properties of 4,6-dimethylcyclohexa-2,3-dien-1-one?
4,6-dimethylcyclohexa-2,3-dien-1-one has a molecular weight of 122.17 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylcyclohexa-2,3-dien-1-one is sourced from PubChem (CID 89088486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).