(3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene

C11H18O — CID 20643241

IUPAC(3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene
SMILESC=C(C)/C=C/C/C(C)=C/COC
InChIInChI=1S/C11H18O/c1-10(2)6-5-7-11(3)8-9-12-4/h5-6,8H,1,7,9H2,2-4H3/b6-5+,11-8+
InChIKeyDQJDZJQUHZADHP-BXROQLSZSA-N
MW166.26 g/mol
LogP3.10
Rot. Bonds5

About (3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene

(3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene (PubChem CID 20643241) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene.

Molecular Properties

Compound Name(3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene
PubChem CID20643241
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene
SMILESC=C(C)/C=C/C/C(C)=C/COC
InChIInChI=1S/C11H18O/c1-10(2)6-5-7-11(3)8-9-12-4/h5-6,8H,1,7,9H2,2-4H3/b6-5+,11-8+
InChIKeyDQJDZJQUHZADHP-BXROQLSZSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,6E)-8-ethoxy-2,6-dimethylocta-1,3,6-triene
CID 59055880
(3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene
CID 143035425
(Z)-1-methoxy-3-methylpent-2-ene
CID 102323192
(6E)-8-methoxy-2,6-dimethylocta-1,6-diene
CID 87447778
ethane;(Z)-1-methoxy-3-methylpent-2-ene
CID 168979167
7-(3,7-dimethylocta-2,5,7-trienoxy)-8-methoxychromen-2-one
CID 163030995
(Z)-1,5-dimethoxy-3-methylpent-2-ene
CID 146216379
(6E)-6-fluoro-2-methylocta-1,3,6-triene
CID 143501588
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
ethyl 5-methylhexa-3,5-dienoate
CID 54020800
ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene
CID 178113371
(3Z)-2,7-dimethylocta-1,3,6-triene;ethene
CID 143233879

Frequently Asked Questions

What is the IUPAC name of (3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene?
The IUPAC name of (3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene (CID 20643241) is (3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene.
What is the SMILES notation for (3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene?
The canonical SMILES for (3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene is C=C(C)/C=C/C/C(C)=C/COC.
What is the InChIKey of (3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene?
The InChIKey is DQJDZJQUHZADHP-BXROQLSZSA-N. The full InChI is InChI=1S/C11H18O/c1-10(2)6-5-7-11(3)8-9-12-4/h5-6,8H,1,7,9H2,2-4H3/b6-5+,11-8+.
What are the key properties of (3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene?
(3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene has a molecular weight of 166.26 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene is sourced from PubChem (CID 20643241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).