(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane

C18H32O2 — CID 125486039

IUPAC(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
SMILESCCC/C=C\CC/C=C\CCCCO[C@H]1CCCCO1
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-18-15-12-14-17-20-18/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3/b5-4-,9-8-/t18-/m1/s1
InChIKeyJMPMPVAWJBSHRS-WYVKJRNPSA-N
MW280.45 g/mol
LogP5.39
Rot. Bonds11

About (2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane

(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane (PubChem CID 125486039) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane.

Molecular Properties

Compound Name(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
PubChem CID125486039
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
SMILESCCC/C=C\CC/C=C\CCCCO[C@H]1CCCCO1
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-18-15-12-14-17-20-18/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3/b5-4-,9-8-/t18-/m1/s1
InChIKeyJMPMPVAWJBSHRS-WYVKJRNPSA-N
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.39
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-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
2-[(E)-dec-3-enoxy]oxane
CID 15649194
(2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane
CID 125486244
2-[(3Z,5E)-nona-3,5-dienoxy]oxane
CID 177457132
2-[(4Z,7Z)-deca-4,7-dienoxy]oxane
CID 10966579
(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-octacosoxyoxane
CID 11214102
2-[(E)-11-iodoundec-10-enoxy]oxane
CID 11280429
2-[(E)-hept-2-enoxy]oxane
CID 12861157
2-[(Z)-pentadec-6-en-3-ynoxy]oxane
CID 10018056

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane?
The IUPAC name of (2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane (CID 125486039) is (2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane.
What is the SMILES notation for (2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane?
The canonical SMILES for (2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane is CCC/C=C\CC/C=C\CCCCO[C@H]1CCCCO1.
What is the InChIKey of (2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane?
The InChIKey is JMPMPVAWJBSHRS-WYVKJRNPSA-N. The full InChI is InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-18-15-12-14-17-20-18/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3/b5-4-,9-8-/t18-/m1/s1.
What are the key properties of (2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane?
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane has a molecular weight of 280.45 g/mol, XLogP of 5.39, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane is sourced from PubChem (CID 125486039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).