4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene

C16H20O — CID 170928678

IUPAC4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene
SMILESC=C/C(C)=C(C)\C=C\Oc1ccc(C)c(C)c1
InChIInChI=1S/C16H20O/c1-6-12(2)14(4)9-10-17-16-8-7-13(3)15(5)11-16/h6-11H,1H2,2-5H3/b10-9+,14-12-
InChIKeyDIOHBFVWUYVYJN-MVFBISMYSA-N
MW228.33 g/mol
LogP4.72
Rot. Bonds4

About 4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene

4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene (PubChem CID 170928678) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is 4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene
PubChem CID170928678
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene
SMILESC=C/C(C)=C(C)\C=C\Oc1ccc(C)c(C)c1
InChIInChI=1S/C16H20O/c1-6-12(2)14(4)9-10-17-16-8-7-13(3)15(5)11-16/h6-11H,1H2,2-5H3/b10-9+,14-12-
InChIKeyDIOHBFVWUYVYJN-MVFBISMYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethyl-4-(2-methylprop-1-enoxy)benzene
CID 88971342
4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene
CID 167001306
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene
CID 143190699
3-(3,4-dimethylphenoxy)-2-methylprop-2-enoic acid
CID 67542435
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene
CID 143523190
4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene
CID 14317674
(3,4-dimethylphenyl) N-ethenylcarbamate
CID 71409278
N-(3,4-dimethylphenyl)-3-(4-fluorophenoxy)prop-2-enamide
CID 91421859
4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3Z,5Z,7Z)-7-ethenyl-5-ethylidene-2,3,9,10-tetramethylundeca-1,3,7,9-tetraene
CID 144517819
2-methyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxyphenol
CID 169209301

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene?
The IUPAC name of 4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene (CID 170928678) is 4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene?
The canonical SMILES for 4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene is C=C/C(C)=C(C)\C=C\Oc1ccc(C)c(C)c1.
What is the InChIKey of 4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene?
The InChIKey is DIOHBFVWUYVYJN-MVFBISMYSA-N. The full InChI is InChI=1S/C16H20O/c1-6-12(2)14(4)9-10-17-16-8-7-13(3)15(5)11-16/h6-11H,1H2,2-5H3/b10-9+,14-12-.
What are the key properties of 4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene?
4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene has a molecular weight of 228.33 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene is sourced from PubChem (CID 170928678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).