4-ethyl-1-(4-ethylhex-1-enoxy)hex-1-ene

C16H30O — CID 57027868

IUPAC4-ethyl-1-(4-ethylhex-1-enoxy)hex-1-ene
SMILESCCC(CC)CC=COC=CCC(CC)CC
InChIInChI=1S/C16H30O/c1-5-15(6-2)11-9-13-17-14-10-12-16(7-3)8-4/h9-10,13-16H,5-8,11-12H2,1-4H3
InChIKeyQIEADSXTIBYEBX-UHFFFAOYSA-N
MW238.42 g/mol
LogP5.68
Rot. Bonds10

About 4-ethyl-1-(4-ethylhex-1-enoxy)hex-1-ene

4-ethyl-1-(4-ethylhex-1-enoxy)hex-1-ene (PubChem CID 57027868) has the molecular formula C16H30O and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-ethyl-1-(4-ethylhex-1-enoxy)hex-1-ene.

Molecular Properties

Compound Name4-ethyl-1-(4-ethylhex-1-enoxy)hex-1-ene
PubChem CID57027868
Molecular FormulaC16H30O
Molecular Weight238.42 g/mol
Exact Mass238.23
IUPAC Name4-ethyl-1-(4-ethylhex-1-enoxy)hex-1-ene
SMILESCCC(CC)CC=COC=CCC(CC)CC
InChIInChI=1S/C16H30O/c1-5-15(6-2)11-9-13-17-14-10-12-16(7-3)8-4/h9-10,13-16H,5-8,11-12H2,1-4H3
InChIKeyQIEADSXTIBYEBX-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.42
LogP ≤ 55.68
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-1-(4-ethylhex-1-enoxy)hex-1-ene?
The IUPAC name of 4-ethyl-1-(4-ethylhex-1-enoxy)hex-1-ene (CID 57027868) is 4-ethyl-1-(4-ethylhex-1-enoxy)hex-1-ene.
What is the SMILES notation for 4-ethyl-1-(4-ethylhex-1-enoxy)hex-1-ene?
The canonical SMILES for 4-ethyl-1-(4-ethylhex-1-enoxy)hex-1-ene is CCC(CC)CC=COC=CCC(CC)CC.
What is the InChIKey of 4-ethyl-1-(4-ethylhex-1-enoxy)hex-1-ene?
The InChIKey is QIEADSXTIBYEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-5-15(6-2)11-9-13-17-14-10-12-16(7-3)8-4/h9-10,13-16H,5-8,11-12H2,1-4H3.
What are the key properties of 4-ethyl-1-(4-ethylhex-1-enoxy)hex-1-ene?
4-ethyl-1-(4-ethylhex-1-enoxy)hex-1-ene has a molecular weight of 238.42 g/mol, XLogP of 5.68, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-ethylhex-1-enoxy)hex-1-ene is sourced from PubChem (CID 57027868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).