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

C10H16O — CID 89277621

IUPAC(1E,3Z,5Z)-4-ethyl-1-methoxyhepta-1,3,5-triene
SMILESC/C=C\C(=C/C=C/OC)CC
InChIInChI=1S/C10H16O/c1-4-7-10(5-2)8-6-9-11-3/h4,6-9H,5H2,1-3H3/b7-4-,9-6+,10-8-
InChIKeyFUTRIONUYAJTJT-DNSCISDPSA-N
MW152.24 g/mol
LogP3.06
Rot. Bonds4

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

(1E,3Z,5Z)-4-ethyl-1-methoxyhepta-1,3,5-triene (PubChem CID 89277621) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1E,3Z,5Z)-4-ethyl-1-methoxyhepta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5Z)-4-ethyl-1-methoxyhepta-1,3,5-triene
PubChem CID89277621
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1E,3Z,5Z)-4-ethyl-1-methoxyhepta-1,3,5-triene
SMILESC/C=C\C(=C/C=C/OC)CC
InChIInChI=1S/C10H16O/c1-4-7-10(5-2)8-6-9-11-3/h4,6-9H,5H2,1-3H3/b7-4-,9-6+,10-8-
InChIKeyFUTRIONUYAJTJT-DNSCISDPSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.06
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,5Z)-4-ethyl-1-methoxyhepta-1,3,5-triene?
The IUPAC name of (1E,3Z,5Z)-4-ethyl-1-methoxyhepta-1,3,5-triene (CID 89277621) is (1E,3Z,5Z)-4-ethyl-1-methoxyhepta-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5Z)-4-ethyl-1-methoxyhepta-1,3,5-triene?
The canonical SMILES for (1E,3Z,5Z)-4-ethyl-1-methoxyhepta-1,3,5-triene is C/C=C\C(=C/C=C/OC)CC.
What is the InChIKey of (1E,3Z,5Z)-4-ethyl-1-methoxyhepta-1,3,5-triene?
The InChIKey is FUTRIONUYAJTJT-DNSCISDPSA-N. The full InChI is InChI=1S/C10H16O/c1-4-7-10(5-2)8-6-9-11-3/h4,6-9H,5H2,1-3H3/b7-4-,9-6+,10-8-.
What are the key properties of (1E,3Z,5Z)-4-ethyl-1-methoxyhepta-1,3,5-triene?
(1E,3Z,5Z)-4-ethyl-1-methoxyhepta-1,3,5-triene has a molecular weight of 152.24 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-4-ethyl-1-methoxyhepta-1,3,5-triene is sourced from PubChem (CID 89277621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).