3-oct-1-en-3-yloxyoct-1-ene

C16H30O — CID 21413587

IUPAC3-oct-1-en-3-yloxyoct-1-ene
SMILESC=CC(CCCCC)OC(C=C)CCCCC
InChIInChI=1S/C16H30O/c1-5-9-11-13-15(7-3)17-16(8-4)14-12-10-6-2/h7-8,15-16H,3-6,9-14H2,1-2H3
InChIKeyWZNMTGJUNOHMPX-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.27
Rot. Bonds12

About 3-oct-1-en-3-yloxyoct-1-ene

3-oct-1-en-3-yloxyoct-1-ene (PubChem CID 21413587) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 3-oct-1-en-3-yloxyoct-1-ene.

Molecular Properties

Compound Name3-oct-1-en-3-yloxyoct-1-ene
PubChem CID21413587
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name3-oct-1-en-3-yloxyoct-1-ene
SMILESC=CC(CCCCC)OC(C=C)CCCCC
InChIInChI=1S/C16H30O/c1-5-9-11-13-15(7-3)17-16(8-4)14-12-10-6-2/h7-8,15-16H,3-6,9-14H2,1-2H3
InChIKeyWZNMTGJUNOHMPX-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-oct-1-en-3-yloxyoct-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxynon-1-ene
CID 12563924
3-propoxynonadec-1-ene
CID 87204997
3-tetradeca-1,13-dien-3-yloxytetradeca-1,13-diene
CID 57120298
undec-1-en-3-yl acetate
CID 3023472
3-methoxy-10-octoxydec-1-ene
CID 141054986
3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol
CID 161465176
oct-1-en-3-yl 2,2-dichloroacetate
CID 102074995
sodium henicos-1-en-3-yl sulfate
CID 87898302
3-methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene
CID 22465178
[(3R)-oct-1-en-3-yl] 2,2,2-trifluoroacetate
CID 14535361
10-ethenylnonadecane
CID 57244946
3-ethenylnon-1-ene
CID 123641938

Frequently Asked Questions

What is the IUPAC name of 3-oct-1-en-3-yloxyoct-1-ene?
The IUPAC name of 3-oct-1-en-3-yloxyoct-1-ene (CID 21413587) is 3-oct-1-en-3-yloxyoct-1-ene.
What is the SMILES notation for 3-oct-1-en-3-yloxyoct-1-ene?
The canonical SMILES for 3-oct-1-en-3-yloxyoct-1-ene is C=CC(CCCCC)OC(C=C)CCCCC.
What is the InChIKey of 3-oct-1-en-3-yloxyoct-1-ene?
The InChIKey is WZNMTGJUNOHMPX-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/h7-8,15-16H,3-6,9-14H2,1-2H3.
What are the key properties of 3-oct-1-en-3-yloxyoct-1-ene?
3-oct-1-en-3-yloxyoct-1-ene has a molecular weight of 238.41 g/mol, XLogP of 5.27, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oct-1-en-3-yloxyoct-1-ene is sourced from PubChem (CID 21413587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).