2,4,6-trimethyl-4-(2-methylprop-2-enoxy)cyclohexa-2,5-dien-1-one

C13H18O2 — CID 102137694

IUPAC2,4,6-trimethyl-4-(2-methylprop-2-enoxy)cyclohexa-2,5-dien-1-one
SMILESC=C(C)COC1(C)C=C(C)C(=O)C(C)=C1
InChIInChI=1S/C13H18O2/c1-9(2)8-15-13(5)6-10(3)12(14)11(4)7-13/h6-7H,1,8H2,2-5H3
InChIKeySEDNDPVWXXHLFR-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.81
Rot. Bonds3

About 2,4,6-trimethyl-4-(2-methylprop-2-enoxy)cyclohexa-2,5-dien-1-one

2,4,6-trimethyl-4-(2-methylprop-2-enoxy)cyclohexa-2,5-dien-1-one (PubChem CID 102137694) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2,4,6-trimethyl-4-(2-methylprop-2-enoxy)cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2,4,6-trimethyl-4-(2-methylprop-2-enoxy)cyclohexa-2,5-dien-1-one
PubChem CID102137694
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2,4,6-trimethyl-4-(2-methylprop-2-enoxy)cyclohexa-2,5-dien-1-one
SMILESC=C(C)COC1(C)C=C(C)C(=O)C(C)=C1
InChIInChI=1S/C13H18O2/c1-9(2)8-15-13(5)6-10(3)12(14)11(4)7-13/h6-7H,1,8H2,2-5H3
InChIKeySEDNDPVWXXHLFR-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-4-(2-methylprop-2-enoxy)cyclohexa-2,5-dien-1-one?
The IUPAC name of 2,4,6-trimethyl-4-(2-methylprop-2-enoxy)cyclohexa-2,5-dien-1-one (CID 102137694) is 2,4,6-trimethyl-4-(2-methylprop-2-enoxy)cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2,4,6-trimethyl-4-(2-methylprop-2-enoxy)cyclohexa-2,5-dien-1-one?
The canonical SMILES for 2,4,6-trimethyl-4-(2-methylprop-2-enoxy)cyclohexa-2,5-dien-1-one is C=C(C)COC1(C)C=C(C)C(=O)C(C)=C1.
What is the InChIKey of 2,4,6-trimethyl-4-(2-methylprop-2-enoxy)cyclohexa-2,5-dien-1-one?
The InChIKey is SEDNDPVWXXHLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9(2)8-15-13(5)6-10(3)12(14)11(4)7-13/h6-7H,1,8H2,2-5H3.
What are the key properties of 2,4,6-trimethyl-4-(2-methylprop-2-enoxy)cyclohexa-2,5-dien-1-one?
2,4,6-trimethyl-4-(2-methylprop-2-enoxy)cyclohexa-2,5-dien-1-one has a molecular weight of 206.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-4-(2-methylprop-2-enoxy)cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 102137694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).