2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane

C23H42O2 — CID 163386037

IUPAC2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
SMILESCCCCC/C=C\CCCC/C=C\CCCCCOC1CCCCO1
InChIInChI=1S/C23H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-23-20-17-19-22-25-23/h6-7,12-13,23H,2-5,8-11,14-22H2,1H3/b7-6-,13-12-
InChIKeySGPYSOBQOOARGP-ASZCUJMBSA-N
MW350.59 g/mol
LogP7.34
Rot. Bonds16

About 2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane

2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane (PubChem CID 163386037) has the molecular formula C23H42O2 and a molecular weight of 350.59 g/mol. Its IUPAC name is 2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane.

Molecular Properties

Compound Name2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
PubChem CID163386037
Molecular FormulaC23H42O2
Molecular Weight350.59 g/mol
Exact Mass350.32
IUPAC Name2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
SMILESCCCCC/C=C\CCCC/C=C\CCCCCOC1CCCCO1
InChIInChI=1S/C23H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-23-20-17-19-22-25-23/h6-7,12-13,23H,2-5,8-11,14-22H2,1H3/b7-6-,13-12-
InChIKeySGPYSOBQOOARGP-ASZCUJMBSA-N
XLogP7.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(E)-dec-3-enoxy]oxane
CID 15649194
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
CID 125486039
2-octacosoxyoxane
CID 11214102
2-[(Z)-pentadec-6-en-3-ynoxy]oxane
CID 10018056
2-[4-[(2S,3S)-3-[(Z)-tetradec-1-enyl]oxiran-2-yl]butoxy]oxane
CID 88665094
(5Z,14Z)-19-(oxan-2-yloxy)nonadeca-5,14-dien-1-ol
CID 153316547
(2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane
CID 6450274
2-[(E)-11-iodoundec-10-enoxy]oxane
CID 11280429
2-[(E)-hept-2-enoxy]oxane
CID 12861157
2-[(4Z,7Z)-deca-4,7-dienoxy]oxane
CID 10966579
(2S)-2-tridec-6-ynoxyoxane
CID 124565996

Frequently Asked Questions

What is the IUPAC name of 2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane?
The IUPAC name of 2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane (CID 163386037) is 2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane.
What is the SMILES notation for 2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane?
The canonical SMILES for 2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane is CCCCC/C=C\CCCC/C=C\CCCCCOC1CCCCO1.
What is the InChIKey of 2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane?
The InChIKey is SGPYSOBQOOARGP-ASZCUJMBSA-N. The full InChI is InChI=1S/C23H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-23-20-17-19-22-25-23/h6-7,12-13,23H,2-5,8-11,14-22H2,1H3/b7-6-,13-12-.
What are the key properties of 2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane?
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane has a molecular weight of 350.59 g/mol, XLogP of 7.34, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane is sourced from PubChem (CID 163386037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).