2-methoxy-6-methyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-one

C13H20O2 — CID 118674638

IUPAC2-methoxy-6-methyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-one
SMILESCOC1=CCC(CC=C(C)C)C(C)C1=O
InChIInChI=1S/C13H20O2/c1-9(2)5-6-11-7-8-12(15-4)13(14)10(11)3/h5,8,10-11H,6-7H2,1-4H3
InChIKeyRIKUGMUCYNFSRS-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.10
Rot. Bonds3

About 2-methoxy-6-methyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-one

2-methoxy-6-methyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-one (PubChem CID 118674638) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-methoxy-6-methyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-one
PubChem CID118674638
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-methoxy-6-methyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-one
SMILESCOC1=CCC(CC=C(C)C)C(C)C1=O
InChIInChI=1S/C13H20O2/c1-9(2)5-6-11-7-8-12(15-4)13(14)10(11)3/h5,8,10-11H,6-7H2,1-4H3
InChIKeyRIKUGMUCYNFSRS-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.10
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-methoxy-6-methyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-one?
The IUPAC name of 2-methoxy-6-methyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-one (CID 118674638) is 2-methoxy-6-methyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-methoxy-6-methyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-one?
The canonical SMILES for 2-methoxy-6-methyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-one is COC1=CCC(CC=C(C)C)C(C)C1=O.
What is the InChIKey of 2-methoxy-6-methyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-one?
The InChIKey is RIKUGMUCYNFSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9(2)5-6-11-7-8-12(15-4)13(14)10(11)3/h5,8,10-11H,6-7H2,1-4H3.
What are the key properties of 2-methoxy-6-methyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-one?
2-methoxy-6-methyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-one has a molecular weight of 208.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-one is sourced from PubChem (CID 118674638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).