(3E,5E,7E)-2-(methoxymethyl)nona-1,3,5,7-tetraene

C11H16O — CID 21351126

IUPAC(3E,5E,7E)-2-(methoxymethyl)nona-1,3,5,7-tetraene
SMILESC=C(/C=C/C=C/C=C/C)COC
InChIInChI=1S/C11H16O/c1-4-5-6-7-8-9-11(2)10-12-3/h4-9H,2,10H2,1,3H3/b5-4+,7-6+,9-8+
InChIKeyZXAGZBSLYMVNAN-ZAJAATJQSA-N
MW164.25 g/mol
LogP2.88
Rot. Bonds5

About (3E,5E,7E)-2-(methoxymethyl)nona-1,3,5,7-tetraene

(3E,5E,7E)-2-(methoxymethyl)nona-1,3,5,7-tetraene (PubChem CID 21351126) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (3E,5E,7E)-2-(methoxymethyl)nona-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3E,5E,7E)-2-(methoxymethyl)nona-1,3,5,7-tetraene
PubChem CID21351126
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(3E,5E,7E)-2-(methoxymethyl)nona-1,3,5,7-tetraene
SMILESC=C(/C=C/C=C/C=C/C)COC
InChIInChI=1S/C11H16O/c1-4-5-6-7-8-9-11(2)10-12-3/h4-9H,2,10H2,1,3H3/b5-4+,7-6+,9-8+
InChIKeyZXAGZBSLYMVNAN-ZAJAATJQSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.88
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 (3E,5E,7E)-2-(methoxymethyl)nona-1,3,5,7-tetraene?
The IUPAC name of (3E,5E,7E)-2-(methoxymethyl)nona-1,3,5,7-tetraene (CID 21351126) is (3E,5E,7E)-2-(methoxymethyl)nona-1,3,5,7-tetraene.
What is the SMILES notation for (3E,5E,7E)-2-(methoxymethyl)nona-1,3,5,7-tetraene?
The canonical SMILES for (3E,5E,7E)-2-(methoxymethyl)nona-1,3,5,7-tetraene is C=C(/C=C/C=C/C=C/C)COC.
What is the InChIKey of (3E,5E,7E)-2-(methoxymethyl)nona-1,3,5,7-tetraene?
The InChIKey is ZXAGZBSLYMVNAN-ZAJAATJQSA-N. The full InChI is InChI=1S/C11H16O/c1-4-5-6-7-8-9-11(2)10-12-3/h4-9H,2,10H2,1,3H3/b5-4+,7-6+,9-8+.
What are the key properties of (3E,5E,7E)-2-(methoxymethyl)nona-1,3,5,7-tetraene?
(3E,5E,7E)-2-(methoxymethyl)nona-1,3,5,7-tetraene has a molecular weight of 164.25 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E)-2-(methoxymethyl)nona-1,3,5,7-tetraene is sourced from PubChem (CID 21351126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).