(E)-4-[(E)-oct-3-en-4-yl]oxyoct-3-ene

C16H30O — CID 87848498

IUPAC(E)-4-[(E)-oct-3-en-4-yl]oxyoct-3-ene
SMILESCC/C=C(\CCCC)O/C(=C/CC)CCCC
InChIInChI=1S/C16H30O/c1-5-9-13-15(11-7-3)17-16(12-8-4)14-10-6-2/h11-12H,5-10,13-14H2,1-4H3/b15-11+,16-12+
InChIKeyHOGIMYLQLSKJLI-JOBJLJCHSA-N
MW238.41 g/mol
LogP5.97
Rot. Bonds10

About (E)-4-[(E)-oct-3-en-4-yl]oxyoct-3-ene

(E)-4-[(E)-oct-3-en-4-yl]oxyoct-3-ene (PubChem CID 87848498) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (E)-4-[(E)-oct-3-en-4-yl]oxyoct-3-ene.

Molecular Properties

Compound Name(E)-4-[(E)-oct-3-en-4-yl]oxyoct-3-ene
PubChem CID87848498
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(E)-4-[(E)-oct-3-en-4-yl]oxyoct-3-ene
SMILESCC/C=C(\CCCC)O/C(=C/CC)CCCC
InChIInChI=1S/C16H30O/c1-5-9-13-15(11-7-3)17-16(12-8-4)14-10-6-2/h11-12H,5-10,13-14H2,1-4H3/b15-11+,16-12+
InChIKeyHOGIMYLQLSKJLI-JOBJLJCHSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.97
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 (E)-4-[(E)-oct-3-en-4-yl]oxyoct-3-ene?
The IUPAC name of (E)-4-[(E)-oct-3-en-4-yl]oxyoct-3-ene (CID 87848498) is (E)-4-[(E)-oct-3-en-4-yl]oxyoct-3-ene.
What is the SMILES notation for (E)-4-[(E)-oct-3-en-4-yl]oxyoct-3-ene?
The canonical SMILES for (E)-4-[(E)-oct-3-en-4-yl]oxyoct-3-ene is CC/C=C(\CCCC)O/C(=C/CC)CCCC.
What is the InChIKey of (E)-4-[(E)-oct-3-en-4-yl]oxyoct-3-ene?
The InChIKey is HOGIMYLQLSKJLI-JOBJLJCHSA-N. The full InChI is InChI=1S/C16H30O/c1-5-9-13-15(11-7-3)17-16(12-8-4)14-10-6-2/h11-12H,5-10,13-14H2,1-4H3/b15-11+,16-12+.
What are the key properties of (E)-4-[(E)-oct-3-en-4-yl]oxyoct-3-ene?
(E)-4-[(E)-oct-3-en-4-yl]oxyoct-3-ene has a molecular weight of 238.41 g/mol, XLogP of 5.97, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(E)-oct-3-en-4-yl]oxyoct-3-ene is sourced from PubChem (CID 87848498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).