2,4,6-trimethoxy-5-methylhepta-2,4-diene

C11H20O3 — CID 123881669

IUPAC2,4,6-trimethoxy-5-methylhepta-2,4-diene
SMILESCOC(C)=CC(OC)=C(C)C(C)OC
InChIInChI=1S/C11H20O3/c1-8(12-4)7-11(14-6)9(2)10(3)13-5/h7,10H,1-6H3
InChIKeyFUFLPAHCTTZTBQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.49
Rot. Bonds5

About 2,4,6-trimethoxy-5-methylhepta-2,4-diene

2,4,6-trimethoxy-5-methylhepta-2,4-diene (PubChem CID 123881669) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2,4,6-trimethoxy-5-methylhepta-2,4-diene.

Molecular Properties

Compound Name2,4,6-trimethoxy-5-methylhepta-2,4-diene
PubChem CID123881669
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2,4,6-trimethoxy-5-methylhepta-2,4-diene
SMILESCOC(C)=CC(OC)=C(C)C(C)OC
InChIInChI=1S/C11H20O3/c1-8(12-4)7-11(14-6)9(2)10(3)13-5/h7,10H,1-6H3
InChIKeyFUFLPAHCTTZTBQ-UHFFFAOYSA-N
XLogP2.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.49
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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Related Compounds

2-Butoxy-4-ethyl-1,3-hexadiene
CID 14296314
Lithium 1-methoxy-3,5-dimethylbenzene-4-ide
CID 14943724
Dimethylpyran
CID 20253317
2-(6-Methylhepta-2,5-dien-2-yl)oxirene
CID 54175100
Methoxydimethyloctadiene
CID 87220842
2-Fluoro-5-methoxy-4-methylhepta-1,3,5-triene
CID 123272230
1-Fluoro-6-methyl-5-propan-2-yloxyocta-1,3,5-triene
CID 123438716
3-Fluoro-5-methoxy-2-methylhepta-1,3,5-triene
CID 123797230
(3E,5E)-5-ethoxy-4-fluoro-2-methylhepta-1,3,5-triene
CID 142047068
(3E)-3-fluoro-5-methyl-2-(3-methylbut-2-enoxy)hexa-1,3,5-triene
CID 142089088
(3E,5E)-3-fluoro-5-methoxy-2,4-dimethylhepta-1,3,5-triene
CID 142861189
(2Z,4Z)-5-fluoro-4-methoxy-3-methylhepta-2,4-diene
CID 143035409

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethoxy-5-methylhepta-2,4-diene?
The IUPAC name of 2,4,6-trimethoxy-5-methylhepta-2,4-diene (CID 123881669) is 2,4,6-trimethoxy-5-methylhepta-2,4-diene.
What is the SMILES notation for 2,4,6-trimethoxy-5-methylhepta-2,4-diene?
The canonical SMILES for 2,4,6-trimethoxy-5-methylhepta-2,4-diene is COC(C)=CC(OC)=C(C)C(C)OC.
What is the InChIKey of 2,4,6-trimethoxy-5-methylhepta-2,4-diene?
The InChIKey is FUFLPAHCTTZTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-8(12-4)7-11(14-6)9(2)10(3)13-5/h7,10H,1-6H3.
What are the key properties of 2,4,6-trimethoxy-5-methylhepta-2,4-diene?
2,4,6-trimethoxy-5-methylhepta-2,4-diene has a molecular weight of 200.28 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethoxy-5-methylhepta-2,4-diene is sourced from PubChem (CID 123881669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).