2-[(8E,10E)-dodeca-8,10-dienoxy]oxane

C17H30O2 — CID 10978415

IUPAC2-[(8E,10E)-dodeca-8,10-dienoxy]oxane
SMILESC/C=C/C=C/CCCCCCCOC1CCCCO1
InChIInChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h2-5,17H,6-16H2,1H3/b3-2+,5-4+
InChIKeyPDBJRNWOKYKKQY-MQQKCMAXSA-N
MW266.42 g/mol
LogP5.00
Rot. Bonds10

About 2-[(8E,10E)-dodeca-8,10-dienoxy]oxane

2-[(8E,10E)-dodeca-8,10-dienoxy]oxane (PubChem CID 10978415) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-[(8E,10E)-dodeca-8,10-dienoxy]oxane.

Molecular Properties

Compound Name2-[(8E,10E)-dodeca-8,10-dienoxy]oxane
PubChem CID10978415
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-[(8E,10E)-dodeca-8,10-dienoxy]oxane
SMILESC/C=C/C=C/CCCCCCCOC1CCCCO1
InChIInChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h2-5,17H,6-16H2,1H3/b3-2+,5-4+
InChIKeyPDBJRNWOKYKKQY-MQQKCMAXSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(8E,10E)-dodeca-8,10-dienoxy]oxane?
The IUPAC name of 2-[(8E,10E)-dodeca-8,10-dienoxy]oxane (CID 10978415) is 2-[(8E,10E)-dodeca-8,10-dienoxy]oxane.
What is the SMILES notation for 2-[(8E,10E)-dodeca-8,10-dienoxy]oxane?
The canonical SMILES for 2-[(8E,10E)-dodeca-8,10-dienoxy]oxane is C/C=C/C=C/CCCCCCCOC1CCCCO1.
What is the InChIKey of 2-[(8E,10E)-dodeca-8,10-dienoxy]oxane?
The InChIKey is PDBJRNWOKYKKQY-MQQKCMAXSA-N. The full InChI is InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h2-5,17H,6-16H2,1H3/b3-2+,5-4+.
What are the key properties of 2-[(8E,10E)-dodeca-8,10-dienoxy]oxane?
2-[(8E,10E)-dodeca-8,10-dienoxy]oxane has a molecular weight of 266.42 g/mol, XLogP of 5.00, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8E,10E)-dodeca-8,10-dienoxy]oxane is sourced from PubChem (CID 10978415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).