(1E,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene

C9H14O — CID 143348268

IUPAC(1E,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene
SMILESC=C/C(=C\C=C\OC)CC
InChIInChI=1S/C9H14O/c1-4-9(5-2)7-6-8-10-3/h4,6-8H,1,5H2,2-3H3/b8-6+,9-7+
InChIKeyODSNZNTVHVVYRX-CDJQDVQCSA-N
MW138.21 g/mol
LogP2.67
Rot. Bonds4

About (1E,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene

(1E,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene (PubChem CID 143348268) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (1E,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene
PubChem CID143348268
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(1E,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene
SMILESC=C/C(=C\C=C\OC)CC
InChIInChI=1S/C9H14O/c1-4-9(5-2)7-6-8-10-3/h4,6-8H,1,5H2,2-3H3/b8-6+,9-7+
InChIKeyODSNZNTVHVVYRX-CDJQDVQCSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.67
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 (1E,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene?
The IUPAC name of (1E,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene (CID 143348268) is (1E,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene.
What is the SMILES notation for (1E,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene?
The canonical SMILES for (1E,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene is C=C/C(=C\C=C\OC)CC.
What is the InChIKey of (1E,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene?
The InChIKey is ODSNZNTVHVVYRX-CDJQDVQCSA-N. The full InChI is InChI=1S/C9H14O/c1-4-9(5-2)7-6-8-10-3/h4,6-8H,1,5H2,2-3H3/b8-6+,9-7+.
What are the key properties of (1E,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene?
(1E,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene has a molecular weight of 138.21 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene is sourced from PubChem (CID 143348268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).