3-[(6E,8Z)-7-methoxyundeca-6,8,10-trien-3-yl]-1,3-oxazolidine

C15H25NO2 — CID 166863142

IUPAC3-[(6E,8Z)-7-methoxyundeca-6,8,10-trien-3-yl]-1,3-oxazolidine
SMILESC=C/C=C\C(=C/CCC(CC)N1CCOC1)OC
InChIInChI=1S/C15H25NO2/c1-4-6-9-15(17-3)10-7-8-14(5-2)16-11-12-18-13-16/h4,6,9-10,14H,1,5,7-8,11-13H2,2-3H3/b9-6-,15-10+
InChIKeyRODUBLIOCJEWPV-SYFSHSHVSA-N
MW251.37 g/mol
LogP3.11
Rot. Bonds8

About 3-[(6E,8Z)-7-methoxyundeca-6,8,10-trien-3-yl]-1,3-oxazolidine

3-[(6E,8Z)-7-methoxyundeca-6,8,10-trien-3-yl]-1,3-oxazolidine (PubChem CID 166863142) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[(6E,8Z)-7-methoxyundeca-6,8,10-trien-3-yl]-1,3-oxazolidine.

Molecular Properties

Compound Name3-[(6E,8Z)-7-methoxyundeca-6,8,10-trien-3-yl]-1,3-oxazolidine
PubChem CID166863142
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-[(6E,8Z)-7-methoxyundeca-6,8,10-trien-3-yl]-1,3-oxazolidine
SMILESC=C/C=C\C(=C/CCC(CC)N1CCOC1)OC
InChIInChI=1S/C15H25NO2/c1-4-6-9-15(17-3)10-7-8-14(5-2)16-11-12-18-13-16/h4,6,9-10,14H,1,5,7-8,11-13H2,2-3H3/b9-6-,15-10+
InChIKeyRODUBLIOCJEWPV-SYFSHSHVSA-N
XLogP3.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6E,8Z)-7-methoxyundeca-6,8,10-trien-3-yl]-1,3-oxazolidine?
The IUPAC name of 3-[(6E,8Z)-7-methoxyundeca-6,8,10-trien-3-yl]-1,3-oxazolidine (CID 166863142) is 3-[(6E,8Z)-7-methoxyundeca-6,8,10-trien-3-yl]-1,3-oxazolidine.
What is the SMILES notation for 3-[(6E,8Z)-7-methoxyundeca-6,8,10-trien-3-yl]-1,3-oxazolidine?
The canonical SMILES for 3-[(6E,8Z)-7-methoxyundeca-6,8,10-trien-3-yl]-1,3-oxazolidine is C=C/C=C\C(=C/CCC(CC)N1CCOC1)OC.
What is the InChIKey of 3-[(6E,8Z)-7-methoxyundeca-6,8,10-trien-3-yl]-1,3-oxazolidine?
The InChIKey is RODUBLIOCJEWPV-SYFSHSHVSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-6-9-15(17-3)10-7-8-14(5-2)16-11-12-18-13-16/h4,6,9-10,14H,1,5,7-8,11-13H2,2-3H3/b9-6-,15-10+.
What are the key properties of 3-[(6E,8Z)-7-methoxyundeca-6,8,10-trien-3-yl]-1,3-oxazolidine?
3-[(6E,8Z)-7-methoxyundeca-6,8,10-trien-3-yl]-1,3-oxazolidine has a molecular weight of 251.37 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6E,8Z)-7-methoxyundeca-6,8,10-trien-3-yl]-1,3-oxazolidine is sourced from PubChem (CID 166863142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).