(2Z,4E,6E)-4-methoxy-7,9-dimethyldeca-2,4,6-triene

C13H22O — CID 88961780

IUPAC(2Z,4E,6E)-4-methoxy-7,9-dimethyldeca-2,4,6-triene
SMILESC/C=C\C(=C/C=C(\C)CC(C)C)OC
InChIInChI=1S/C13H22O/c1-6-7-13(14-5)9-8-12(4)10-11(2)3/h6-9,11H,10H2,1-5H3/b7-6-,12-8+,13-9+
InChIKeyGYECIBRJJZHGSE-CYAJVYQESA-N
MW194.32 g/mol
LogP4.09
Rot. Bonds5

About (2Z,4E,6E)-4-methoxy-7,9-dimethyldeca-2,4,6-triene

(2Z,4E,6E)-4-methoxy-7,9-dimethyldeca-2,4,6-triene (PubChem CID 88961780) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (2Z,4E,6E)-4-methoxy-7,9-dimethyldeca-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4E,6E)-4-methoxy-7,9-dimethyldeca-2,4,6-triene
PubChem CID88961780
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(2Z,4E,6E)-4-methoxy-7,9-dimethyldeca-2,4,6-triene
SMILESC/C=C\C(=C/C=C(\C)CC(C)C)OC
InChIInChI=1S/C13H22O/c1-6-7-13(14-5)9-8-12(4)10-11(2)3/h6-9,11H,10H2,1-5H3/b7-6-,12-8+,13-9+
InChIKeyGYECIBRJJZHGSE-CYAJVYQESA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E)-4-methoxy-7,9-dimethyldeca-2,4,6-triene?
The IUPAC name of (2Z,4E,6E)-4-methoxy-7,9-dimethyldeca-2,4,6-triene (CID 88961780) is (2Z,4E,6E)-4-methoxy-7,9-dimethyldeca-2,4,6-triene.
What is the SMILES notation for (2Z,4E,6E)-4-methoxy-7,9-dimethyldeca-2,4,6-triene?
The canonical SMILES for (2Z,4E,6E)-4-methoxy-7,9-dimethyldeca-2,4,6-triene is C/C=C\C(=C/C=C(\C)CC(C)C)OC.
What is the InChIKey of (2Z,4E,6E)-4-methoxy-7,9-dimethyldeca-2,4,6-triene?
The InChIKey is GYECIBRJJZHGSE-CYAJVYQESA-N. The full InChI is InChI=1S/C13H22O/c1-6-7-13(14-5)9-8-12(4)10-11(2)3/h6-9,11H,10H2,1-5H3/b7-6-,12-8+,13-9+.
What are the key properties of (2Z,4E,6E)-4-methoxy-7,9-dimethyldeca-2,4,6-triene?
(2Z,4E,6E)-4-methoxy-7,9-dimethyldeca-2,4,6-triene has a molecular weight of 194.32 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-4-methoxy-7,9-dimethyldeca-2,4,6-triene is sourced from PubChem (CID 88961780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).