2-ethoxy-1-(2-ethoxy-4-ethyloct-1-enoxy)-4-ethyloct-1-ene

C24H46O3 — CID 139640636

IUPAC2-ethoxy-1-(2-ethoxy-4-ethyloct-1-enoxy)-4-ethyloct-1-ene
SMILESCCCCC(CC)CC(=COC=C(CC(CC)CCCC)OCC)OCC
InChIInChI=1S/C24H46O3/c1-7-13-15-21(9-3)17-23(26-11-5)19-25-20-24(27-12-6)18-22(10-4)16-14-8-2/h19-22H,7-18H2,1-6H3
InChIKeyWZZHGDAGYAGOJX-UHFFFAOYSA-N
MW382.63 g/mol
LogP7.97
Rot. Bonds18

About 2-ethoxy-1-(2-ethoxy-4-ethyloct-1-enoxy)-4-ethyloct-1-ene

2-ethoxy-1-(2-ethoxy-4-ethyloct-1-enoxy)-4-ethyloct-1-ene (PubChem CID 139640636) has the molecular formula C24H46O3 and a molecular weight of 382.63 g/mol. Its IUPAC name is 2-ethoxy-1-(2-ethoxy-4-ethyloct-1-enoxy)-4-ethyloct-1-ene.

Molecular Properties

Compound Name2-ethoxy-1-(2-ethoxy-4-ethyloct-1-enoxy)-4-ethyloct-1-ene
PubChem CID139640636
Molecular FormulaC24H46O3
Molecular Weight382.63 g/mol
Exact Mass382.34
IUPAC Name2-ethoxy-1-(2-ethoxy-4-ethyloct-1-enoxy)-4-ethyloct-1-ene
SMILESCCCCC(CC)CC(=COC=C(CC(CC)CCCC)OCC)OCC
InChIInChI=1S/C24H46O3/c1-7-13-15-21(9-3)17-23(26-11-5)19-25-20-24(27-12-6)18-22(10-4)16-14-8-2/h19-22H,7-18H2,1-6H3
InChIKeyWZZHGDAGYAGOJX-UHFFFAOYSA-N
XLogP7.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(E)-7-ethoxy-5-ethyltetradec-6-ene
CID 12009433
tributyl-[(E)-1-(cyclohexylmethoxy)hex-1-en-2-yl]stannane
CID 14970173
Heptane,3-[[(2-ethyl-1-hexen-1-yl)oxy]methyl]-
CID 244347
3-[[(E)-2-ethylhex-1-enoxy]methyl]heptane
CID 5356349
1-Octadecoxyethenylcyclohexane
CID 17888800
2-Ethenoxy-4-ethyloct-1-ene
CID 18769628
1-(1-Cyclohexylethenoxy)ethenylcyclohexane;1-ethenoxy-2-methylpropane
CID 22074875
4-Ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene
CID 56634113
2-(6,10,14-Trimethylpentadecan-2-yl)oxirene
CID 57127204
1,5,9-Tris(1-ethoxyethenyl)-phosphacyclododecane
CID 57153701
3-(3-Methylpent-1-en-2-yloxymethyl)heptane
CID 58571434
4-Propyl-2-(4-propylnon-1-en-2-yloxy)non-1-ene
CID 87163988

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-ethoxy-4-ethyloct-1-enoxy)-4-ethyloct-1-ene?
The IUPAC name of 2-ethoxy-1-(2-ethoxy-4-ethyloct-1-enoxy)-4-ethyloct-1-ene (CID 139640636) is 2-ethoxy-1-(2-ethoxy-4-ethyloct-1-enoxy)-4-ethyloct-1-ene.
What is the SMILES notation for 2-ethoxy-1-(2-ethoxy-4-ethyloct-1-enoxy)-4-ethyloct-1-ene?
The canonical SMILES for 2-ethoxy-1-(2-ethoxy-4-ethyloct-1-enoxy)-4-ethyloct-1-ene is CCCCC(CC)CC(=COC=C(CC(CC)CCCC)OCC)OCC.
What is the InChIKey of 2-ethoxy-1-(2-ethoxy-4-ethyloct-1-enoxy)-4-ethyloct-1-ene?
The InChIKey is WZZHGDAGYAGOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O3/c1-7-13-15-21(9-3)17-23(26-11-5)19-25-20-24(27-12-6)18-22(10-4)16-14-8-2/h19-22H,7-18H2,1-6H3.
What are the key properties of 2-ethoxy-1-(2-ethoxy-4-ethyloct-1-enoxy)-4-ethyloct-1-ene?
2-ethoxy-1-(2-ethoxy-4-ethyloct-1-enoxy)-4-ethyloct-1-ene has a molecular weight of 382.63 g/mol, XLogP of 7.97, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-ethoxy-4-ethyloct-1-enoxy)-4-ethyloct-1-ene is sourced from PubChem (CID 139640636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).