1-(8-methoxy-6-methylocta-1,4,6-trien-3-yl)-4-methylimidazole

C14H20N2O — CID 91322797

IUPAC1-(8-methoxy-6-methylocta-1,4,6-trien-3-yl)-4-methylimidazole
SMILESC=CC(C=CC(C)=CCOC)n1cnc(C)c1
InChIInChI=1S/C14H20N2O/c1-5-14(16-10-13(3)15-11-16)7-6-12(2)8-9-17-4/h5-8,10-11,14H,1,9H2,2-4H3
InChIKeyRXWDJUTYEYMZAT-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.07
Rot. Bonds6

About 1-(8-methoxy-6-methylocta-1,4,6-trien-3-yl)-4-methylimidazole

1-(8-methoxy-6-methylocta-1,4,6-trien-3-yl)-4-methylimidazole (PubChem CID 91322797) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(8-methoxy-6-methylocta-1,4,6-trien-3-yl)-4-methylimidazole.

Molecular Properties

Compound Name1-(8-methoxy-6-methylocta-1,4,6-trien-3-yl)-4-methylimidazole
PubChem CID91322797
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(8-methoxy-6-methylocta-1,4,6-trien-3-yl)-4-methylimidazole
SMILESC=CC(C=CC(C)=CCOC)n1cnc(C)c1
InChIInChI=1S/C14H20N2O/c1-5-14(16-10-13(3)15-11-16)7-6-12(2)8-9-17-4/h5-8,10-11,14H,1,9H2,2-4H3
InChIKeyRXWDJUTYEYMZAT-UHFFFAOYSA-N
XLogP3.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl-[2-[[2-penta-1,3-dien-2-yl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
CID 123246513
ethane;4-methyl-1-[(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-3,5-dien-2-yl]imidazole
CID 143818471
(2Z,4E)-2-methyl-1-[4-(trifluoromethyl)imidazol-1-yl]hepta-2,4-dien-4-ol
CID 163446409
2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-1-propan-2-yl-4-(trifluoromethyl)imidazole
CID 168928304
1-(3,6-dihydro-2H-pyran-4-yl)-4-(trifluoromethyl)imidazole
CID 176393996
[3-[(2E)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]imidazol-4-yl]methyl acetate
CID 141995312
5-ethyl-1-[(2E)-2-[(E)-2-fluoroprop-1-enyl]hexa-2,5-dienyl]imidazole
CID 141995335
2-[3-[(2E)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]imidazol-4-yl]ethyl cyanate
CID 141995709
4-methyl-1-[(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-3,5-dien-2-yl]imidazole
CID 143818472
8-Oxa-1,15,18,22-tetrazabicyclo[18.3.0]tricosa-2,4,6,9,11,13,15,17,20,22-decaene-6-carbonitrile
CID 57239397
Magnesium;1-(2-methoxybenzene-4-id-1-yl)-4-methylimidazole;chloride
CID 59590571
ethyl (E)-3-(1-propan-2-ylimidazol-4-yl)prop-2-enoate
CID 60020663

Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxy-6-methylocta-1,4,6-trien-3-yl)-4-methylimidazole?
The IUPAC name of 1-(8-methoxy-6-methylocta-1,4,6-trien-3-yl)-4-methylimidazole (CID 91322797) is 1-(8-methoxy-6-methylocta-1,4,6-trien-3-yl)-4-methylimidazole.
What is the SMILES notation for 1-(8-methoxy-6-methylocta-1,4,6-trien-3-yl)-4-methylimidazole?
The canonical SMILES for 1-(8-methoxy-6-methylocta-1,4,6-trien-3-yl)-4-methylimidazole is C=CC(C=CC(C)=CCOC)n1cnc(C)c1.
What is the InChIKey of 1-(8-methoxy-6-methylocta-1,4,6-trien-3-yl)-4-methylimidazole?
The InChIKey is RXWDJUTYEYMZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-14(16-10-13(3)15-11-16)7-6-12(2)8-9-17-4/h5-8,10-11,14H,1,9H2,2-4H3.
What are the key properties of 1-(8-methoxy-6-methylocta-1,4,6-trien-3-yl)-4-methylimidazole?
1-(8-methoxy-6-methylocta-1,4,6-trien-3-yl)-4-methylimidazole has a molecular weight of 232.33 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxy-6-methylocta-1,4,6-trien-3-yl)-4-methylimidazole is sourced from PubChem (CID 91322797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).