(4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene

C11H18O — CID 177034485

IUPAC(4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene
SMILESC/C=C(\C=C/C(C)=C(C)C)OC
InChIInChI=1S/C11H18O/c1-6-11(12-5)8-7-10(4)9(2)3/h6-8H,1-5H3/b8-7-,11-6+
InChIKeyIVRHIZVJSHEBHH-YKFSIMETSA-N
MW166.26 g/mol
LogP3.45
Rot. Bonds3

About (4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene

(4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene (PubChem CID 177034485) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene.

Molecular Properties

Compound Name(4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene
PubChem CID177034485
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene
SMILESC/C=C(\C=C/C(C)=C(C)C)OC
InChIInChI=1S/C11H18O/c1-6-11(12-5)8-7-10(4)9(2)3/h6-8H,1-5H3/b8-7-,11-6+
InChIKeyIVRHIZVJSHEBHH-YKFSIMETSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.45
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'}

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Related Compounds

2-fluoro-5-methoxyhepta-1,3,5-triene
CID 123941397
(3Z,5E)-5-methoxy-2-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 166777674
(1E)-3,4-dimethylpenta-1,3-dien-1-ol
CID 173388634
(4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene
CID 145179802
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]piperazine
CID 142202942
(2E,4Z)-N-ethyl-6,7-dimethylocta-2,4,6-trien-3-amine;propan-2-one
CID 143458427
(2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine
CID 54571566
(5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate
CID 123219816
(1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane
CID 144535129
methyl (2E)-4,5,6-trimethylhepta-2,5-dienoate
CID 177392649
2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine
CID 54346570
(3Z)-N-formyl-5,6-dimethyl-2-methylidenehepta-3,5-dienamide
CID 142170596

Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene?
The IUPAC name of (4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene (CID 177034485) is (4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene.
What is the SMILES notation for (4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene?
The canonical SMILES for (4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene is C/C=C(\C=C/C(C)=C(C)C)OC.
What is the InChIKey of (4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene?
The InChIKey is IVRHIZVJSHEBHH-YKFSIMETSA-N. The full InChI is InChI=1S/C11H18O/c1-6-11(12-5)8-7-10(4)9(2)3/h6-8H,1-5H3/b8-7-,11-6+.
What are the key properties of (4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene?
(4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene has a molecular weight of 166.26 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene is sourced from PubChem (CID 177034485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).