(Z)-1-(2-ethoxyethoxy)-4-methoxyoct-2-ene

C13H26O3 — CID 135036919

IUPAC(Z)-1-(2-ethoxyethoxy)-4-methoxyoct-2-ene
SMILESCCCCC(/C=C\COCCOCC)OC
InChIInChI=1S/C13H26O3/c1-4-6-8-13(14-3)9-7-10-16-12-11-15-5-2/h7,9,13H,4-6,8,10-12H2,1-3H3/b9-7-
InChIKeyAFSRYUGVMCIOHX-CLFYSBASSA-N
MW230.35 g/mol
LogP2.80
Rot. Bonds11

About (Z)-1-(2-ethoxyethoxy)-4-methoxyoct-2-ene

(Z)-1-(2-ethoxyethoxy)-4-methoxyoct-2-ene (PubChem CID 135036919) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is (Z)-1-(2-ethoxyethoxy)-4-methoxyoct-2-ene.

Molecular Properties

Compound Name(Z)-1-(2-ethoxyethoxy)-4-methoxyoct-2-ene
PubChem CID135036919
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name(Z)-1-(2-ethoxyethoxy)-4-methoxyoct-2-ene
SMILESCCCCC(/C=C\COCCOCC)OC
InChIInChI=1S/C13H26O3/c1-4-6-8-13(14-3)9-7-10-16-12-11-15-5-2/h7,9,13H,4-6,8,10-12H2,1-3H3/b9-7-
InChIKeyAFSRYUGVMCIOHX-CLFYSBASSA-N
XLogP2.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-1-(2-ethoxyethoxy)-4-methoxyoct-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-ethoxyethoxy)-4-methoxyoct-2-ene?
The IUPAC name of (Z)-1-(2-ethoxyethoxy)-4-methoxyoct-2-ene (CID 135036919) is (Z)-1-(2-ethoxyethoxy)-4-methoxyoct-2-ene.
What is the SMILES notation for (Z)-1-(2-ethoxyethoxy)-4-methoxyoct-2-ene?
The canonical SMILES for (Z)-1-(2-ethoxyethoxy)-4-methoxyoct-2-ene is CCCCC(/C=C\COCCOCC)OC.
What is the InChIKey of (Z)-1-(2-ethoxyethoxy)-4-methoxyoct-2-ene?
The InChIKey is AFSRYUGVMCIOHX-CLFYSBASSA-N. The full InChI is InChI=1S/C13H26O3/c1-4-6-8-13(14-3)9-7-10-16-12-11-15-5-2/h7,9,13H,4-6,8,10-12H2,1-3H3/b9-7-.
What are the key properties of (Z)-1-(2-ethoxyethoxy)-4-methoxyoct-2-ene?
(Z)-1-(2-ethoxyethoxy)-4-methoxyoct-2-ene has a molecular weight of 230.35 g/mol, XLogP of 2.80, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-ethoxyethoxy)-4-methoxyoct-2-ene is sourced from PubChem (CID 135036919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).