(2E,4E,6E)-1-methoxynona-2,4,6-triene

C10H16O — CID 90463863

IUPAC(2E,4E,6E)-1-methoxynona-2,4,6-triene
SMILESCC/C=C/C=C/C=C/COC
InChIInChI=1S/C10H16O/c1-3-4-5-6-7-8-9-10-11-2/h4-9H,3,10H2,1-2H3/b5-4+,7-6+,9-8+
InChIKeyYBDHMVBJRYGCCE-ZAJAATJQSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds5

About (2E,4E,6E)-1-methoxynona-2,4,6-triene

(2E,4E,6E)-1-methoxynona-2,4,6-triene (PubChem CID 90463863) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2E,4E,6E)-1-methoxynona-2,4,6-triene.

Molecular Properties

Compound Name(2E,4E,6E)-1-methoxynona-2,4,6-triene
PubChem CID90463863
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2E,4E,6E)-1-methoxynona-2,4,6-triene
SMILESCC/C=C/C=C/C=C/COC
InChIInChI=1S/C10H16O/c1-3-4-5-6-7-8-9-10-11-2/h4-9H,3,10H2,1-2H3/b5-4+,7-6+,9-8+
InChIKeyYBDHMVBJRYGCCE-ZAJAATJQSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
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,6E)-1-methoxynona-2,4,6-triene?
The IUPAC name of (2E,4E,6E)-1-methoxynona-2,4,6-triene (CID 90463863) is (2E,4E,6E)-1-methoxynona-2,4,6-triene.
What is the SMILES notation for (2E,4E,6E)-1-methoxynona-2,4,6-triene?
The canonical SMILES for (2E,4E,6E)-1-methoxynona-2,4,6-triene is CC/C=C/C=C/C=C/COC.
What is the InChIKey of (2E,4E,6E)-1-methoxynona-2,4,6-triene?
The InChIKey is YBDHMVBJRYGCCE-ZAJAATJQSA-N. The full InChI is InChI=1S/C10H16O/c1-3-4-5-6-7-8-9-10-11-2/h4-9H,3,10H2,1-2H3/b5-4+,7-6+,9-8+.
What are the key properties of (2E,4E,6E)-1-methoxynona-2,4,6-triene?
(2E,4E,6E)-1-methoxynona-2,4,6-triene has a molecular weight of 152.24 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-1-methoxynona-2,4,6-triene is sourced from PubChem (CID 90463863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).