(E)-11-(oxan-2-yloxy)undec-2-en-1-ol

C16H30O3 — CID 14077179

IUPAC(E)-11-(oxan-2-yloxy)undec-2-en-1-ol
SMILESOC/C=C/CCCCCCCCOC1CCCCO1
InChIInChI=1S/C16H30O3/c17-13-9-6-4-2-1-3-5-7-10-14-18-16-12-8-11-15-19-16/h6,9,16-17H,1-5,7-8,10-15H2/b9-6+
InChIKeyHTGJZAGCNCCAGL-RMKNXTFCSA-N
MW270.41 g/mol
LogP3.81
Rot. Bonds11

About (E)-11-(oxan-2-yloxy)undec-2-en-1-ol

(E)-11-(oxan-2-yloxy)undec-2-en-1-ol (PubChem CID 14077179) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is (E)-11-(oxan-2-yloxy)undec-2-en-1-ol.

Molecular Properties

Compound Name(E)-11-(oxan-2-yloxy)undec-2-en-1-ol
PubChem CID14077179
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name(E)-11-(oxan-2-yloxy)undec-2-en-1-ol
SMILESOC/C=C/CCCCCCCCOC1CCCCO1
InChIInChI=1S/C16H30O3/c17-13-9-6-4-2-1-3-5-7-10-14-18-16-12-8-11-15-19-16/h6,9,16-17H,1-5,7-8,10-15H2/b9-6+
InChIKeyHTGJZAGCNCCAGL-RMKNXTFCSA-N
XLogP3.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (E)-11-(oxan-2-yloxy)undec-2-en-1-ol?
The IUPAC name of (E)-11-(oxan-2-yloxy)undec-2-en-1-ol (CID 14077179) is (E)-11-(oxan-2-yloxy)undec-2-en-1-ol.
What is the SMILES notation for (E)-11-(oxan-2-yloxy)undec-2-en-1-ol?
The canonical SMILES for (E)-11-(oxan-2-yloxy)undec-2-en-1-ol is OC/C=C/CCCCCCCCOC1CCCCO1.
What is the InChIKey of (E)-11-(oxan-2-yloxy)undec-2-en-1-ol?
The InChIKey is HTGJZAGCNCCAGL-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H30O3/c17-13-9-6-4-2-1-3-5-7-10-14-18-16-12-8-11-15-19-16/h6,9,16-17H,1-5,7-8,10-15H2/b9-6+.
What are the key properties of (E)-11-(oxan-2-yloxy)undec-2-en-1-ol?
(E)-11-(oxan-2-yloxy)undec-2-en-1-ol has a molecular weight of 270.41 g/mol, XLogP of 3.81, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-(oxan-2-yloxy)undec-2-en-1-ol is sourced from PubChem (CID 14077179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).