2-hydroxy-3,4,5,6-tetramethylcyclohexa-2,5-dien-1-one

C10H14O2 — CID 118968445

IUPAC2-hydroxy-3,4,5,6-tetramethylcyclohexa-2,5-dien-1-one
SMILESCC1=C(C)C(C)C(C)=C(O)C1=O
InChIInChI=1S/C10H14O2/c1-5-6(2)8(4)10(12)9(11)7(5)3/h5,11H,1-4H3
InChIKeyGBZAJAVPHIJTRT-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.37
Rot. Bonds

About 2-hydroxy-3,4,5,6-tetramethylcyclohexa-2,5-dien-1-one

2-hydroxy-3,4,5,6-tetramethylcyclohexa-2,5-dien-1-one (PubChem CID 118968445) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-hydroxy-3,4,5,6-tetramethylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2-hydroxy-3,4,5,6-tetramethylcyclohexa-2,5-dien-1-one
PubChem CID118968445
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-hydroxy-3,4,5,6-tetramethylcyclohexa-2,5-dien-1-one
SMILESCC1=C(C)C(C)C(C)=C(O)C1=O
InChIInChI=1S/C10H14O2/c1-5-6(2)8(4)10(12)9(11)7(5)3/h5,11H,1-4H3
InChIKeyGBZAJAVPHIJTRT-UHFFFAOYSA-N
XLogP2.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 101262476
2-hydroxy-3,4-dimethyl-5-(3-methylbut-1-enylidene)cyclopent-2-en-1-one
CID 45098714
carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium
CID 158383790
2,3-dimethylcyclopropen-1-ol
CID 58816589
2,3,4,5-tetramethyl-6-[2-(2,3,5,6-tetramethyl-4-oxocyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-2,5-dien-1-one
CID 167262040
2,3,4,5-tetramethylcyclopenta-1,4-diene-1-carboxylic acid
CID 11805120
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium
CID 74765453
carbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium
CID 155885990
(4R)-4-tert-butyl-2-hydroxy-3-methyl-5-methylidenecyclopent-2-en-1-one
CID 102594208
5-ethylidene-2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one
CID 57358221
(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;zirconium(2+);dichloride
CID 173246971
2,3,4,5,6-pentamethylcyclohex-2-en-1-one
CID 20756072

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4,5,6-tetramethylcyclohexa-2,5-dien-1-one?
The IUPAC name of 2-hydroxy-3,4,5,6-tetramethylcyclohexa-2,5-dien-1-one (CID 118968445) is 2-hydroxy-3,4,5,6-tetramethylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2-hydroxy-3,4,5,6-tetramethylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 2-hydroxy-3,4,5,6-tetramethylcyclohexa-2,5-dien-1-one is CC1=C(C)C(C)C(C)=C(O)C1=O.
What is the InChIKey of 2-hydroxy-3,4,5,6-tetramethylcyclohexa-2,5-dien-1-one?
The InChIKey is GBZAJAVPHIJTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-5-6(2)8(4)10(12)9(11)7(5)3/h5,11H,1-4H3.
What are the key properties of 2-hydroxy-3,4,5,6-tetramethylcyclohexa-2,5-dien-1-one?
2-hydroxy-3,4,5,6-tetramethylcyclohexa-2,5-dien-1-one has a molecular weight of 166.22 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4,5,6-tetramethylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 118968445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).