2,5-ditert-butyl-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one

C15H24O2 — CID 5336483

IUPAC2,5-ditert-butyl-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one
SMILESCC(C)(C)C1=CC=C(C(C)(C)C)C(C)(O)C1=O
InChIInChI=1S/C15H24O2/c1-13(2,3)10-8-9-11(14(4,5)6)15(7,17)12(10)16/h8-9,17H,1-7H3
InChIKeyGHUVQCXDJFCLPA-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.27
Rot. Bonds

About 2,5-ditert-butyl-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one

2,5-ditert-butyl-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one (PubChem CID 5336483) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2,5-ditert-butyl-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2,5-ditert-butyl-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one
PubChem CID5336483
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2,5-ditert-butyl-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one
SMILESCC(C)(C)C1=CC=C(C(C)(C)C)C(C)(O)C1=O
InChIInChI=1S/C15H24O2/c1-13(2,3)10-8-9-11(14(4,5)6)15(7,17)12(10)16/h8-9,17H,1-7H3
InChIKeyGHUVQCXDJFCLPA-UHFFFAOYSA-N
XLogP3.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one?
The IUPAC name of 2,5-ditert-butyl-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one (CID 5336483) is 2,5-ditert-butyl-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2,5-ditert-butyl-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 2,5-ditert-butyl-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one is CC(C)(C)C1=CC=C(C(C)(C)C)C(C)(O)C1=O.
What is the InChIKey of 2,5-ditert-butyl-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one?
The InChIKey is GHUVQCXDJFCLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(2,3)10-8-9-11(14(4,5)6)15(7,17)12(10)16/h8-9,17H,1-7H3.
What are the key properties of 2,5-ditert-butyl-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one?
2,5-ditert-butyl-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 5336483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).