(E)-1,1,8,8-tetramethoxyoct-4-ene

C12H24O4 — CID 15239126

IUPAC(E)-1,1,8,8-tetramethoxyoct-4-ene
SMILESCOC(CC/C=C/CCC(OC)OC)OC
InChIInChI=1S/C12H24O4/c1-13-11(14-2)9-7-5-6-8-10-12(15-3)16-4/h5-6,11-12H,7-10H2,1-4H3/b6-5+
InChIKeyLIMKHWAQRHYMMK-AATRIKPKSA-N
MW232.32 g/mol
LogP2.34
Rot. Bonds10

About (E)-1,1,8,8-tetramethoxyoct-4-ene

(E)-1,1,8,8-tetramethoxyoct-4-ene (PubChem CID 15239126) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is (E)-1,1,8,8-tetramethoxyoct-4-ene.

Molecular Properties

Compound Name(E)-1,1,8,8-tetramethoxyoct-4-ene
PubChem CID15239126
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name(E)-1,1,8,8-tetramethoxyoct-4-ene
SMILESCOC(CC/C=C/CCC(OC)OC)OC
InChIInChI=1S/C12H24O4/c1-13-11(14-2)9-7-5-6-8-10-12(15-3)16-4/h5-6,11-12H,7-10H2,1-4H3/b6-5+
InChIKeyLIMKHWAQRHYMMK-AATRIKPKSA-N
XLogP2.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (E)-1,1,8,8-tetramethoxyoct-4-ene?
The IUPAC name of (E)-1,1,8,8-tetramethoxyoct-4-ene (CID 15239126) is (E)-1,1,8,8-tetramethoxyoct-4-ene.
What is the SMILES notation for (E)-1,1,8,8-tetramethoxyoct-4-ene?
The canonical SMILES for (E)-1,1,8,8-tetramethoxyoct-4-ene is COC(CC/C=C/CCC(OC)OC)OC.
What is the InChIKey of (E)-1,1,8,8-tetramethoxyoct-4-ene?
The InChIKey is LIMKHWAQRHYMMK-AATRIKPKSA-N. The full InChI is InChI=1S/C12H24O4/c1-13-11(14-2)9-7-5-6-8-10-12(15-3)16-4/h5-6,11-12H,7-10H2,1-4H3/b6-5+.
What are the key properties of (E)-1,1,8,8-tetramethoxyoct-4-ene?
(E)-1,1,8,8-tetramethoxyoct-4-ene has a molecular weight of 232.32 g/mol, XLogP of 2.34, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,8,8-tetramethoxyoct-4-ene is sourced from PubChem (CID 15239126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).