(4Z,6E)-6-(methoxymethyl)-2-methylocta-2,4,6-triene

C11H18O — CID 88905805

IUPAC(4Z,6E)-6-(methoxymethyl)-2-methylocta-2,4,6-triene
SMILESC/C=C(\C=C/C=C(C)C)COC
InChIInChI=1S/C11H18O/c1-5-11(9-12-4)8-6-7-10(2)3/h5-8H,9H2,1-4H3/b8-6-,11-5+
InChIKeyQMJLTOFQMSXQTL-QHPKLMRPSA-N
MW166.26 g/mol
LogP3.10
Rot. Bonds4

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

(4Z,6E)-6-(methoxymethyl)-2-methylocta-2,4,6-triene (PubChem CID 88905805) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4Z,6E)-6-(methoxymethyl)-2-methylocta-2,4,6-triene.

Molecular Properties

Compound Name(4Z,6E)-6-(methoxymethyl)-2-methylocta-2,4,6-triene
PubChem CID88905805
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4Z,6E)-6-(methoxymethyl)-2-methylocta-2,4,6-triene
SMILESC/C=C(\C=C/C=C(C)C)COC
InChIInChI=1S/C11H18O/c1-5-11(9-12-4)8-6-7-10(2)3/h5-8H,9H2,1-4H3/b8-6-,11-5+
InChIKeyQMJLTOFQMSXQTL-QHPKLMRPSA-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 (4Z,6E)-6-(methoxymethyl)-2-methylocta-2,4,6-triene?
The IUPAC name of (4Z,6E)-6-(methoxymethyl)-2-methylocta-2,4,6-triene (CID 88905805) is (4Z,6E)-6-(methoxymethyl)-2-methylocta-2,4,6-triene.
What is the SMILES notation for (4Z,6E)-6-(methoxymethyl)-2-methylocta-2,4,6-triene?
The canonical SMILES for (4Z,6E)-6-(methoxymethyl)-2-methylocta-2,4,6-triene is C/C=C(\C=C/C=C(C)C)COC.
What is the InChIKey of (4Z,6E)-6-(methoxymethyl)-2-methylocta-2,4,6-triene?
The InChIKey is QMJLTOFQMSXQTL-QHPKLMRPSA-N. The full InChI is InChI=1S/C11H18O/c1-5-11(9-12-4)8-6-7-10(2)3/h5-8H,9H2,1-4H3/b8-6-,11-5+.
What are the key properties of (4Z,6E)-6-(methoxymethyl)-2-methylocta-2,4,6-triene?
(4Z,6E)-6-(methoxymethyl)-2-methylocta-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 (4Z,6E)-6-(methoxymethyl)-2-methylocta-2,4,6-triene is sourced from PubChem (CID 88905805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).