2-[(9E)-dodeca-9,11-dienoxy]oxane

C17H30O2 — CID 10934423

IUPAC2-[(9E)-dodeca-9,11-dienoxy]oxane
SMILESC=C/C=C/CCCCCCCCOC1CCCCO1
InChIInChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h2-4,17H,1,5-16H2/b4-3+
InChIKeyJVCZICIZQUFDEZ-ONEGZZNKSA-N
MW266.42 g/mol
LogP5.00
Rot. Bonds11

About 2-[(9E)-dodeca-9,11-dienoxy]oxane

2-[(9E)-dodeca-9,11-dienoxy]oxane (PubChem CID 10934423) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-[(9E)-dodeca-9,11-dienoxy]oxane.

Molecular Properties

Compound Name2-[(9E)-dodeca-9,11-dienoxy]oxane
PubChem CID10934423
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-[(9E)-dodeca-9,11-dienoxy]oxane
SMILESC=C/C=C/CCCCCCCCOC1CCCCO1
InChIInChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h2-4,17H,1,5-16H2/b4-3+
InChIKeyJVCZICIZQUFDEZ-ONEGZZNKSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
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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Related Compounds

(2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane
CID 6450274
7-(oxan-2-yloxy)hept-2-enal
CID 54196488
2-[(E)-11-iodoundec-10-enoxy]oxane
CID 11280429
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
(5Z,14Z)-19-(oxan-2-yloxy)nonadeca-5,14-dien-1-ol
CID 153316547
(2S)-2-pent-4-enoxyoxane
CID 58779863
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
CID 125486039
(E)-14-(oxan-2-yloxy)tetradec-2-enoic acid
CID 71244577
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[(E)-5-iodopent-4-enoxy]oxane
CID 11140994
2-(4-bromohex-5-enoxy)oxane
CID 139711941

Frequently Asked Questions

What is the IUPAC name of 2-[(9E)-dodeca-9,11-dienoxy]oxane?
The IUPAC name of 2-[(9E)-dodeca-9,11-dienoxy]oxane (CID 10934423) is 2-[(9E)-dodeca-9,11-dienoxy]oxane.
What is the SMILES notation for 2-[(9E)-dodeca-9,11-dienoxy]oxane?
The canonical SMILES for 2-[(9E)-dodeca-9,11-dienoxy]oxane is C=C/C=C/CCCCCCCCOC1CCCCO1.
What is the InChIKey of 2-[(9E)-dodeca-9,11-dienoxy]oxane?
The InChIKey is JVCZICIZQUFDEZ-ONEGZZNKSA-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/h2-4,17H,1,5-16H2/b4-3+.
What are the key properties of 2-[(9E)-dodeca-9,11-dienoxy]oxane?
2-[(9E)-dodeca-9,11-dienoxy]oxane has a molecular weight of 266.42 g/mol, XLogP of 5.00, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9E)-dodeca-9,11-dienoxy]oxane is sourced from PubChem (CID 10934423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).