2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one

C10H14O — CID 14145131

IUPAC2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one
SMILESCC1=C(C)C(=O)C(C)=C(C)C1
InChIInChI=1S/C10H14O/c1-6-5-7(2)9(4)10(11)8(6)3/h5H2,1-4H3
InChIKeyWHBAJOSMIGSVEA-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.63
Rot. Bonds

About 2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one

2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one (PubChem CID 14145131) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one
PubChem CID14145131
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one
SMILESCC1=C(C)C(=O)C(C)=C(C)C1
InChIInChI=1S/C10H14O/c1-6-5-7(2)9(4)10(11)8(6)3/h5H2,1-4H3
InChIKeyWHBAJOSMIGSVEA-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Duroquinone
CID 68238
2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-
CID 70291
2,6-Dimethyl-1,4-benzoquinone
CID 68241
5-Ethyl-4-methylhept-4-en-3-one
CID 543221
4-Methyl-3-hepten-2-one
CID 5363707
5-Methylhept-4-en-3-one
CID 5364923
3,4-Dimethylhex-3-en-2-one
CID 3032731
4-Methyl-4E-hepten-3-one
CID 5362893
2-(1-Methylethylidene)cyclohexanone
CID 26252
3,4-Dimethyl-3-hexen-2-one
CID 30227
3,4-Dimethyl-3-penten-2-one
CID 12700
4,5-Dimethyl-4-hexene-3-one
CID 519408

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one?
The IUPAC name of 2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one (CID 14145131) is 2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one is CC1=C(C)C(=O)C(C)=C(C)C1.
What is the InChIKey of 2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one?
The InChIKey is WHBAJOSMIGSVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-6-5-7(2)9(4)10(11)8(6)3/h5H2,1-4H3.
What are the key properties of 2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one?
2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 14145131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).