(4E,6E)-12-methoxydodeca-4,6-diene

C13H24O — CID 5364206

IUPAC(4E,6E)-12-methoxydodeca-4,6-diene
SMILESCCC/C=C/C=C/CCCCCOC
InChIInChI=1S/C13H24O/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h5-8H,3-4,9-13H2,1-2H3/b6-5+,8-7+
InChIKeyUIGOZFOTGOOADG-BSWSSELBSA-N
MW196.33 g/mol
LogP4.11
Rot. Bonds9

About (4E,6E)-12-methoxydodeca-4,6-diene

(4E,6E)-12-methoxydodeca-4,6-diene (PubChem CID 5364206) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (4E,6E)-12-methoxydodeca-4,6-diene.

Molecular Properties

Compound Name(4E,6E)-12-methoxydodeca-4,6-diene
PubChem CID5364206
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(4E,6E)-12-methoxydodeca-4,6-diene
SMILESCCC/C=C/C=C/CCCCCOC
InChIInChI=1S/C13H24O/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h5-8H,3-4,9-13H2,1-2H3/b6-5+,8-7+
InChIKeyUIGOZFOTGOOADG-BSWSSELBSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-12-methoxydodeca-4,6-diene?
The IUPAC name of (4E,6E)-12-methoxydodeca-4,6-diene (CID 5364206) is (4E,6E)-12-methoxydodeca-4,6-diene.
What is the SMILES notation for (4E,6E)-12-methoxydodeca-4,6-diene?
The canonical SMILES for (4E,6E)-12-methoxydodeca-4,6-diene is CCC/C=C/C=C/CCCCCOC.
What is the InChIKey of (4E,6E)-12-methoxydodeca-4,6-diene?
The InChIKey is UIGOZFOTGOOADG-BSWSSELBSA-N. The full InChI is InChI=1S/C13H24O/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h5-8H,3-4,9-13H2,1-2H3/b6-5+,8-7+.
What are the key properties of (4E,6E)-12-methoxydodeca-4,6-diene?
(4E,6E)-12-methoxydodeca-4,6-diene has a molecular weight of 196.33 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-12-methoxydodeca-4,6-diene is sourced from PubChem (CID 5364206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).