4-methoxy-2,6-dimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one

C14H20O2 — CID 177441608

IUPAC4-methoxy-2,6-dimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
SMILESCOC1=CC(C)(CC=C(C)C)C(=O)C(C)=C1
InChIInChI=1S/C14H20O2/c1-10(2)6-7-14(4)9-12(16-5)8-11(3)13(14)15/h6,8-9H,7H2,1-5H3
InChIKeyHJLFJOHGJRLFKP-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.41
Rot. Bonds3

About 4-methoxy-2,6-dimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one

4-methoxy-2,6-dimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one (PubChem CID 177441608) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
PubChem CID177441608
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-methoxy-2,6-dimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
SMILESCOC1=CC(C)(CC=C(C)C)C(=O)C(C)=C1
InChIInChI=1S/C14H20O2/c1-10(2)6-7-14(4)9-12(16-5)8-11(3)13(14)15/h6,8-9H,7H2,1-5H3
InChIKeyHJLFJOHGJRLFKP-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.41
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 4-methoxy-2,6-dimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 4-methoxy-2,6-dimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one (CID 177441608) is 4-methoxy-2,6-dimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 4-methoxy-2,6-dimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one is COC1=CC(C)(CC=C(C)C)C(=O)C(C)=C1.
What is the InChIKey of 4-methoxy-2,6-dimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one?
The InChIKey is HJLFJOHGJRLFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10(2)6-7-14(4)9-12(16-5)8-11(3)13(14)15/h6,8-9H,7H2,1-5H3.
What are the key properties of 4-methoxy-2,6-dimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one?
4-methoxy-2,6-dimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 177441608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).