3-oct-3-en-3-yloxyoct-3-ene

C16H30O — CID 57196331

IUPAC3-oct-3-en-3-yloxyoct-3-ene
SMILESCCCCC=C(CC)OC(=CCCCC)CC
InChIInChI=1S/C16H30O/c1-5-9-11-13-15(7-3)17-16(8-4)14-12-10-6-2/h13-14H,5-12H2,1-4H3
InChIKeyZQKZSAVDRGXRQX-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.97
Rot. Bonds10

About 3-oct-3-en-3-yloxyoct-3-ene

3-oct-3-en-3-yloxyoct-3-ene (PubChem CID 57196331) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 3-oct-3-en-3-yloxyoct-3-ene.

Molecular Properties

Compound Name3-oct-3-en-3-yloxyoct-3-ene
PubChem CID57196331
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name3-oct-3-en-3-yloxyoct-3-ene
SMILESCCCCC=C(CC)OC(=CCCCC)CC
InChIInChI=1S/C16H30O/c1-5-9-11-13-15(7-3)17-16(8-4)14-12-10-6-2/h13-14H,5-12H2,1-4H3
InChIKeyZQKZSAVDRGXRQX-UHFFFAOYSA-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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oct-3-en-3-yloxyoct-3-ene?
The IUPAC name of 3-oct-3-en-3-yloxyoct-3-ene (CID 57196331) is 3-oct-3-en-3-yloxyoct-3-ene.
What is the SMILES notation for 3-oct-3-en-3-yloxyoct-3-ene?
The canonical SMILES for 3-oct-3-en-3-yloxyoct-3-ene is CCCCC=C(CC)OC(=CCCCC)CC.
What is the InChIKey of 3-oct-3-en-3-yloxyoct-3-ene?
The InChIKey is ZQKZSAVDRGXRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-5-9-11-13-15(7-3)17-16(8-4)14-12-10-6-2/h13-14H,5-12H2,1-4H3.
What are the key properties of 3-oct-3-en-3-yloxyoct-3-ene?
3-oct-3-en-3-yloxyoct-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 3-oct-3-en-3-yloxyoct-3-ene is sourced from PubChem (CID 57196331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).