2-[(Z)-11-methyltridec-5-enoxy]oxane

C19H36O2 — CID 10913491

IUPAC2-[(Z)-11-methyltridec-5-enoxy]oxane
SMILESCCC(C)CCCC/C=C\CCCCOC1CCCCO1
InChIInChI=1S/C19H36O2/c1-3-18(2)14-10-8-6-4-5-7-9-12-16-20-19-15-11-13-17-21-19/h4-5,18-19H,3,6-17H2,1-2H3/b5-4-
InChIKeyXOTFBEFRKUYZKW-PLNGDYQASA-N
MW296.49 g/mol
LogP5.86
Rot. Bonds12

About 2-[(Z)-11-methyltridec-5-enoxy]oxane

2-[(Z)-11-methyltridec-5-enoxy]oxane (PubChem CID 10913491) has the molecular formula C19H36O2 and a molecular weight of 296.49 g/mol. Its IUPAC name is 2-[(Z)-11-methyltridec-5-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-11-methyltridec-5-enoxy]oxane
PubChem CID10913491
Molecular FormulaC19H36O2
Molecular Weight296.49 g/mol
Exact Mass296.27
IUPAC Name2-[(Z)-11-methyltridec-5-enoxy]oxane
SMILESCCC(C)CCCC/C=C\CCCCOC1CCCCO1
InChIInChI=1S/C19H36O2/c1-3-18(2)14-10-8-6-4-5-7-9-12-16-20-19-15-11-13-17-21-19/h4-5,18-19H,3,6-17H2,1-2H3/b5-4-
InChIKeyXOTFBEFRKUYZKW-PLNGDYQASA-N
XLogP5.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.49
LogP ≤ 55.86
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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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-11-methyltridec-5-enoxy]oxane?
The IUPAC name of 2-[(Z)-11-methyltridec-5-enoxy]oxane (CID 10913491) is 2-[(Z)-11-methyltridec-5-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-11-methyltridec-5-enoxy]oxane?
The canonical SMILES for 2-[(Z)-11-methyltridec-5-enoxy]oxane is CCC(C)CCCC/C=C\CCCCOC1CCCCO1.
What is the InChIKey of 2-[(Z)-11-methyltridec-5-enoxy]oxane?
The InChIKey is XOTFBEFRKUYZKW-PLNGDYQASA-N. The full InChI is InChI=1S/C19H36O2/c1-3-18(2)14-10-8-6-4-5-7-9-12-16-20-19-15-11-13-17-21-19/h4-5,18-19H,3,6-17H2,1-2H3/b5-4-.
What are the key properties of 2-[(Z)-11-methyltridec-5-enoxy]oxane?
2-[(Z)-11-methyltridec-5-enoxy]oxane has a molecular weight of 296.49 g/mol, XLogP of 5.86, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-11-methyltridec-5-enoxy]oxane is sourced from PubChem (CID 10913491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).