10-(oxan-2-yloxy)decanal

C15H28O3 — CID 11128940

IUPAC10-(oxan-2-yloxy)decanal
SMILESO=CCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C15H28O3/c16-12-8-5-3-1-2-4-6-9-13-17-15-11-7-10-14-18-15/h12,15H,1-11,13-14H2
InChIKeySOUSHZCNTSQXJF-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.85
Rot. Bonds11

About 10-(oxan-2-yloxy)decanal

10-(oxan-2-yloxy)decanal (PubChem CID 11128940) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 10-(oxan-2-yloxy)decanal.

Molecular Properties

Compound Name10-(oxan-2-yloxy)decanal
PubChem CID11128940
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name10-(oxan-2-yloxy)decanal
SMILESO=CCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C15H28O3/c16-12-8-5-3-1-2-4-6-9-13-17-15-11-7-10-14-18-15/h12,15H,1-11,13-14H2
InChIKeySOUSHZCNTSQXJF-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.85
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 10-(oxan-2-yloxy)decanal?
The IUPAC name of 10-(oxan-2-yloxy)decanal (CID 11128940) is 10-(oxan-2-yloxy)decanal.
What is the SMILES notation for 10-(oxan-2-yloxy)decanal?
The canonical SMILES for 10-(oxan-2-yloxy)decanal is O=CCCCCCCCCCOC1CCCCO1.
What is the InChIKey of 10-(oxan-2-yloxy)decanal?
The InChIKey is SOUSHZCNTSQXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c16-12-8-5-3-1-2-4-6-9-13-17-15-11-7-10-14-18-15/h12,15H,1-11,13-14H2.
What are the key properties of 10-(oxan-2-yloxy)decanal?
10-(oxan-2-yloxy)decanal has a molecular weight of 256.39 g/mol, XLogP of 3.85, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(oxan-2-yloxy)decanal is sourced from PubChem (CID 11128940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).