(2Z,4E,6Z)-5-(methoxymethyl)nona-2,4,6-triene

C11H18O — CID 89371027

IUPAC(2Z,4E,6Z)-5-(methoxymethyl)nona-2,4,6-triene
SMILESC/C=C\C=C(/C=C\CC)COC
InChIInChI=1S/C11H18O/c1-4-6-8-11(10-12-3)9-7-5-2/h4,6-9H,5,10H2,1-3H3/b6-4-,9-7-,11-8+
InChIKeyKNNHJXXEPWMDIJ-CPZMXRHXSA-N
MW166.26 g/mol
LogP3.10
Rot. Bonds5

About (2Z,4E,6Z)-5-(methoxymethyl)nona-2,4,6-triene

(2Z,4E,6Z)-5-(methoxymethyl)nona-2,4,6-triene (PubChem CID 89371027) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2Z,4E,6Z)-5-(methoxymethyl)nona-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4E,6Z)-5-(methoxymethyl)nona-2,4,6-triene
PubChem CID89371027
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2Z,4E,6Z)-5-(methoxymethyl)nona-2,4,6-triene
SMILESC/C=C\C=C(/C=C\CC)COC
InChIInChI=1S/C11H18O/c1-4-6-8-11(10-12-3)9-7-5-2/h4,6-9H,5,10H2,1-3H3/b6-4-,9-7-,11-8+
InChIKeyKNNHJXXEPWMDIJ-CPZMXRHXSA-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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6Z)-5-(methoxymethyl)nona-2,4,6-triene?
The IUPAC name of (2Z,4E,6Z)-5-(methoxymethyl)nona-2,4,6-triene (CID 89371027) is (2Z,4E,6Z)-5-(methoxymethyl)nona-2,4,6-triene.
What is the SMILES notation for (2Z,4E,6Z)-5-(methoxymethyl)nona-2,4,6-triene?
The canonical SMILES for (2Z,4E,6Z)-5-(methoxymethyl)nona-2,4,6-triene is C/C=C\C=C(/C=C\CC)COC.
What is the InChIKey of (2Z,4E,6Z)-5-(methoxymethyl)nona-2,4,6-triene?
The InChIKey is KNNHJXXEPWMDIJ-CPZMXRHXSA-N. The full InChI is InChI=1S/C11H18O/c1-4-6-8-11(10-12-3)9-7-5-2/h4,6-9H,5,10H2,1-3H3/b6-4-,9-7-,11-8+.
What are the key properties of (2Z,4E,6Z)-5-(methoxymethyl)nona-2,4,6-triene?
(2Z,4E,6Z)-5-(methoxymethyl)nona-2,4,6-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 (2Z,4E,6Z)-5-(methoxymethyl)nona-2,4,6-triene is sourced from PubChem (CID 89371027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).