1-octa-1,6-dienoxyoctane

C16H30O — CID 88510416

IUPAC1-octa-1,6-dienoxyoctane
SMILESCC=CCCCC=COCCCCCCCC
InChIInChI=1S/C16H30O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,5,13,15H,4,6-12,14,16H2,1-2H3
InChIKeyDRZVUXTZWCKOBD-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.62
Rot. Bonds12

About 1-octa-1,6-dienoxyoctane

1-octa-1,6-dienoxyoctane (PubChem CID 88510416) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-octa-1,6-dienoxyoctane.

Molecular Properties

Compound Name1-octa-1,6-dienoxyoctane
PubChem CID88510416
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-octa-1,6-dienoxyoctane
SMILESCC=CCCCC=COCCCCCCCC
InChIInChI=1S/C16H30O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,5,13,15H,4,6-12,14,16H2,1-2H3
InChIKeyDRZVUXTZWCKOBD-UHFFFAOYSA-N
XLogP5.62
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 ≤ 55.62
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-butoxyocta-1,6-diene
CID 87963042
1-butoxynonadec-1-ene
CID 173032007
1-butoxyheptadec-1-ene
CID 173032025
1-prop-1-enoxydecane
CID 54116737
1-[(E)-but-1-enoxy]heptane
CID 5366295
3-octadec-1-enoxypropan-1-ol
CID 552588
(Z)-icos-2-ene
CID 5352524
1-hexoxyocta-1,3-diene
CID 149151620
octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
(Z)-oct-2-ene
CID 5356796
1-ethoxytridec-1-ene
CID 173032013

Frequently Asked Questions

What is the IUPAC name of 1-octa-1,6-dienoxyoctane?
The IUPAC name of 1-octa-1,6-dienoxyoctane (CID 88510416) is 1-octa-1,6-dienoxyoctane.
What is the SMILES notation for 1-octa-1,6-dienoxyoctane?
The canonical SMILES for 1-octa-1,6-dienoxyoctane is CC=CCCCC=COCCCCCCCC.
What is the InChIKey of 1-octa-1,6-dienoxyoctane?
The InChIKey is DRZVUXTZWCKOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,5,13,15H,4,6-12,14,16H2,1-2H3.
What are the key properties of 1-octa-1,6-dienoxyoctane?
1-octa-1,6-dienoxyoctane has a molecular weight of 238.41 g/mol, XLogP of 5.62, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octa-1,6-dienoxyoctane is sourced from PubChem (CID 88510416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).