(2E,4E)-1-methoxy-3,7-dimethylocta-2,4,6-triene

C11H18O — CID 10057885

IUPAC(2E,4E)-1-methoxy-3,7-dimethylocta-2,4,6-triene
SMILESCOC/C=C(C)/C=C/C=C(C)C
InChIInChI=1S/C11H18O/c1-10(2)6-5-7-11(3)8-9-12-4/h5-8H,9H2,1-4H3/b7-5+,11-8+
InChIKeyAAADEUDKPLUBLE-PAQHSLSSSA-N
MW166.26 g/mol
LogP3.10
Rot. Bonds4

About (2E,4E)-1-methoxy-3,7-dimethylocta-2,4,6-triene

(2E,4E)-1-methoxy-3,7-dimethylocta-2,4,6-triene (PubChem CID 10057885) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2E,4E)-1-methoxy-3,7-dimethylocta-2,4,6-triene.

Molecular Properties

Compound Name(2E,4E)-1-methoxy-3,7-dimethylocta-2,4,6-triene
PubChem CID10057885
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2E,4E)-1-methoxy-3,7-dimethylocta-2,4,6-triene
SMILESCOC/C=C(C)/C=C/C=C(C)C
InChIInChI=1S/C11H18O/c1-10(2)6-5-7-11(3)8-9-12-4/h5-8H,9H2,1-4H3/b7-5+,11-8+
InChIKeyAAADEUDKPLUBLE-PAQHSLSSSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-methoxy-3,7-dimethylocta-2,4,6-triene?
The IUPAC name of (2E,4E)-1-methoxy-3,7-dimethylocta-2,4,6-triene (CID 10057885) is (2E,4E)-1-methoxy-3,7-dimethylocta-2,4,6-triene.
What is the SMILES notation for (2E,4E)-1-methoxy-3,7-dimethylocta-2,4,6-triene?
The canonical SMILES for (2E,4E)-1-methoxy-3,7-dimethylocta-2,4,6-triene is COC/C=C(C)/C=C/C=C(C)C.
What is the InChIKey of (2E,4E)-1-methoxy-3,7-dimethylocta-2,4,6-triene?
The InChIKey is AAADEUDKPLUBLE-PAQHSLSSSA-N. The full InChI is InChI=1S/C11H18O/c1-10(2)6-5-7-11(3)8-9-12-4/h5-8H,9H2,1-4H3/b7-5+,11-8+.
What are the key properties of (2E,4E)-1-methoxy-3,7-dimethylocta-2,4,6-triene?
(2E,4E)-1-methoxy-3,7-dimethylocta-2,4,6-triene has a molecular weight of 166.26 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-methoxy-3,7-dimethylocta-2,4,6-triene is sourced from PubChem (CID 10057885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).