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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Related Compounds

6-Methylhept-1-en-3-one
CID 20384912
4-Methyl-1-hepten-3-one
CID 53807856
5-Methyl-3-methylene-2-hexanone
CID 14473
(4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-one
CID 162922621
4-Ethyl-3-methyl-4-penten-2-one
CID 536968
1-(3-Methylcyclohex-3-en-1-yl)ethan-1-one
CID 12563464
2-Methyl-5-prop-1-en-2-ylcyclohexa-2,3-dien-1-one
CID 129691658
6-Hepten-2-one, 4-methyl-
CID 10419191
3-(2-Methyl-allyl)-pentane-2,4-dione
CID 10942670
4-Methyl-2-methylidenecyclohexan-1-one
CID 12474861
3-Methyl-2-methylidenecyclohexan-1-one
CID 12614285
4,5-Dimethylhex-5-en-3-one
CID 13311899

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).