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

C13H26O3 — CID 134887433

IUPAC(Z)-1-(1-ethoxyethoxy)-4-methoxyoct-2-ene
SMILESCCCCC(/C=C\COC(C)OCC)OC
InChIInChI=1S/C13H26O3/c1-5-7-9-13(14-4)10-8-11-16-12(3)15-6-2/h8,10,12-13H,5-7,9,11H2,1-4H3/b10-8-
InChIKeyYISBOTWISRKMLY-NTMALXAHSA-N
MW230.35 g/mol
LogP3.15
Rot. Bonds10

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

(Z)-1-(1-ethoxyethoxy)-4-methoxyoct-2-ene (PubChem CID 134887433) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is (Z)-1-(1-ethoxyethoxy)-4-methoxyoct-2-ene.

Molecular Properties

Compound Name(Z)-1-(1-ethoxyethoxy)-4-methoxyoct-2-ene
PubChem CID134887433
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name(Z)-1-(1-ethoxyethoxy)-4-methoxyoct-2-ene
SMILESCCCCC(/C=C\COC(C)OCC)OC
InChIInChI=1S/C13H26O3/c1-5-7-9-13(14-4)10-8-11-16-12(3)15-6-2/h8,10,12-13H,5-7,9,11H2,1-4H3/b10-8-
InChIKeyYISBOTWISRKMLY-NTMALXAHSA-N
XLogP3.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1-ethoxyethoxy)-4-methoxyoct-2-ene?
The IUPAC name of (Z)-1-(1-ethoxyethoxy)-4-methoxyoct-2-ene (CID 134887433) is (Z)-1-(1-ethoxyethoxy)-4-methoxyoct-2-ene.
What is the SMILES notation for (Z)-1-(1-ethoxyethoxy)-4-methoxyoct-2-ene?
The canonical SMILES for (Z)-1-(1-ethoxyethoxy)-4-methoxyoct-2-ene is CCCCC(/C=C\COC(C)OCC)OC.
What is the InChIKey of (Z)-1-(1-ethoxyethoxy)-4-methoxyoct-2-ene?
The InChIKey is YISBOTWISRKMLY-NTMALXAHSA-N. The full InChI is InChI=1S/C13H26O3/c1-5-7-9-13(14-4)10-8-11-16-12(3)15-6-2/h8,10,12-13H,5-7,9,11H2,1-4H3/b10-8-.
What are the key properties of (Z)-1-(1-ethoxyethoxy)-4-methoxyoct-2-ene?
(Z)-1-(1-ethoxyethoxy)-4-methoxyoct-2-ene has a molecular weight of 230.35 g/mol, XLogP of 3.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1-ethoxyethoxy)-4-methoxyoct-2-ene is sourced from PubChem (CID 134887433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).