4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene

C20H38O — CID 56634113

IUPAC4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene
SMILESC=C(CC(CC)CCCC)OC(=C)CC(CC)CCCC
InChIInChI=1S/C20H38O/c1-7-11-13-19(9-3)15-17(5)21-18(6)16-20(10-4)14-12-8-2/h19-20H,5-16H2,1-4H3
InChIKeyMFSDWORFQAFYAA-UHFFFAOYSA-N
MW294.52 g/mol
LogP7.24
Rot. Bonds14

About 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene

4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene (PubChem CID 56634113) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene.

Molecular Properties

Compound Name4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene
PubChem CID56634113
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene
SMILESC=C(CC(CC)CCCC)OC(=C)CC(CC)CCCC
InChIInChI=1S/C20H38O/c1-7-11-13-19(9-3)15-17(5)21-18(6)16-20(10-4)14-12-8-2/h19-20H,5-16H2,1-4H3
InChIKeyMFSDWORFQAFYAA-UHFFFAOYSA-N
XLogP7.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene?
The IUPAC name of 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene (CID 56634113) is 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene.
What is the SMILES notation for 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene?
The canonical SMILES for 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene is C=C(CC(CC)CCCC)OC(=C)CC(CC)CCCC.
What is the InChIKey of 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene?
The InChIKey is MFSDWORFQAFYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-7-11-13-19(9-3)15-17(5)21-18(6)16-20(10-4)14-12-8-2/h19-20H,5-16H2,1-4H3.
What are the key properties of 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene?
4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene has a molecular weight of 294.52 g/mol, XLogP of 7.24, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene is sourced from PubChem (CID 56634113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).