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

C22H30O2 — CID 167262040

IUPAC2,3,4,5-tetramethyl-6-[2-(2,3,5,6-tetramethyl-4-oxocyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-2,5-dien-1-one
SMILESCC1=C(C)C(CCC2=C(C)C(C)C(C)=C(C)C2=O)=C(C)C(C)C1=O
InChIInChI=1S/C22H30O2/c1-11-12(2)16(6)22(24)20(13(11)3)10-9-19-14(4)17(7)21(23)18(8)15(19)5/h11,17H,9-10H2,1-8H3
InChIKeyRUTWRWLWIBTWOQ-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.51
Rot. Bonds3

About 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

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 (PubChem CID 167262040) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,3,4,5-tetramethyl-6-[2-(2,3,5,6-tetramethyl-4-oxocyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-2,5-dien-1-one
PubChem CID167262040
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name2,3,4,5-tetramethyl-6-[2-(2,3,5,6-tetramethyl-4-oxocyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-2,5-dien-1-one
SMILESCC1=C(C)C(CCC2=C(C)C(C)C(C)=C(C)C2=O)=C(C)C(C)C1=O
InChIInChI=1S/C22H30O2/c1-11-12(2)16(6)22(24)20(13(11)3)10-9-19-14(4)17(7)21(23)18(8)15(19)5/h11,17H,9-10H2,1-8H3
InChIKeyRUTWRWLWIBTWOQ-UHFFFAOYSA-N
XLogP5.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=C(C)C(CCC2=C(C)C(C)C(C)=C(C)C2=O)=C(C)C(C)C1=O.
What is the InChIKey of 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?
The InChIKey is RUTWRWLWIBTWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-11-12(2)16(6)22(24)20(13(11)3)10-9-19-14(4)17(7)21(23)18(8)15(19)5/h11,17H,9-10H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 326.48 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167262040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).