11-(oxan-2-yloxy)undecanal

C16H30O3 — CID 45114016

IUPAC11-(oxan-2-yloxy)undecanal
SMILESO=CCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C16H30O3/c17-13-9-6-4-2-1-3-5-7-10-14-18-16-12-8-11-15-19-16/h13,16H,1-12,14-15H2
InChIKeyGNYQWXVSNJJADN-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.24
Rot. Bonds12

About 11-(oxan-2-yloxy)undecanal

11-(oxan-2-yloxy)undecanal (PubChem CID 45114016) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 11-(oxan-2-yloxy)undecanal.

Molecular Properties

Compound Name11-(oxan-2-yloxy)undecanal
PubChem CID45114016
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name11-(oxan-2-yloxy)undecanal
SMILESO=CCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C16H30O3/c17-13-9-6-4-2-1-3-5-7-10-14-18-16-12-8-11-15-19-16/h13,16H,1-12,14-15H2
InChIKeyGNYQWXVSNJJADN-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-(oxan-2-yloxy)undecanal?
The IUPAC name of 11-(oxan-2-yloxy)undecanal (CID 45114016) is 11-(oxan-2-yloxy)undecanal.
What is the SMILES notation for 11-(oxan-2-yloxy)undecanal?
The canonical SMILES for 11-(oxan-2-yloxy)undecanal is O=CCCCCCCCCCCOC1CCCCO1.
What is the InChIKey of 11-(oxan-2-yloxy)undecanal?
The InChIKey is GNYQWXVSNJJADN-UHFFFAOYSA-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/h13,16H,1-12,14-15H2.
What are the key properties of 11-(oxan-2-yloxy)undecanal?
11-(oxan-2-yloxy)undecanal has a molecular weight of 270.41 g/mol, XLogP of 4.24, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(oxan-2-yloxy)undecanal is sourced from PubChem (CID 45114016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).