1-(3-methoxy-5-methylhexa-2,4-dien-2-yl)-4-methylimidazole

C12H18N2O — CID 90746551

IUPAC1-(3-methoxy-5-methylhexa-2,4-dien-2-yl)-4-methylimidazole
SMILESCOC(C=C(C)C)=C(C)n1cnc(C)c1
InChIInChI=1S/C12H18N2O/c1-9(2)6-12(15-5)11(4)14-7-10(3)13-8-14/h6-8H,1-5H3
InChIKeyVPFMYJZBGBFSNX-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.99
Rot. Bonds3

About 1-(3-methoxy-5-methylhexa-2,4-dien-2-yl)-4-methylimidazole

1-(3-methoxy-5-methylhexa-2,4-dien-2-yl)-4-methylimidazole (PubChem CID 90746551) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(3-methoxy-5-methylhexa-2,4-dien-2-yl)-4-methylimidazole.

Molecular Properties

Compound Name1-(3-methoxy-5-methylhexa-2,4-dien-2-yl)-4-methylimidazole
PubChem CID90746551
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(3-methoxy-5-methylhexa-2,4-dien-2-yl)-4-methylimidazole
SMILESCOC(C=C(C)C)=C(C)n1cnc(C)c1
InChIInChI=1S/C12H18N2O/c1-9(2)6-12(15-5)11(4)14-7-10(3)13-8-14/h6-8H,1-5H3
InChIKeyVPFMYJZBGBFSNX-UHFFFAOYSA-N
XLogP2.99
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-5-methylhexa-2,4-dien-2-yl)-4-methylimidazole?
The IUPAC name of 1-(3-methoxy-5-methylhexa-2,4-dien-2-yl)-4-methylimidazole (CID 90746551) is 1-(3-methoxy-5-methylhexa-2,4-dien-2-yl)-4-methylimidazole.
What is the SMILES notation for 1-(3-methoxy-5-methylhexa-2,4-dien-2-yl)-4-methylimidazole?
The canonical SMILES for 1-(3-methoxy-5-methylhexa-2,4-dien-2-yl)-4-methylimidazole is COC(C=C(C)C)=C(C)n1cnc(C)c1.
What is the InChIKey of 1-(3-methoxy-5-methylhexa-2,4-dien-2-yl)-4-methylimidazole?
The InChIKey is VPFMYJZBGBFSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)6-12(15-5)11(4)14-7-10(3)13-8-14/h6-8H,1-5H3.
What are the key properties of 1-(3-methoxy-5-methylhexa-2,4-dien-2-yl)-4-methylimidazole?
1-(3-methoxy-5-methylhexa-2,4-dien-2-yl)-4-methylimidazole has a molecular weight of 206.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-5-methylhexa-2,4-dien-2-yl)-4-methylimidazole is sourced from PubChem (CID 90746551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).