14-(oxan-2-yloxy)tetradecanal

C19H36O3 — CID 10925017

IUPAC14-(oxan-2-yloxy)tetradecanal
SMILESO=CCCCCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C19H36O3/c20-16-12-9-7-5-3-1-2-4-6-8-10-13-17-21-19-15-11-14-18-22-19/h16,19H,1-15,17-18H2
InChIKeyBIVPNBQOTJDZRW-UHFFFAOYSA-N
MW312.49 g/mol
LogP5.41
Rot. Bonds15

About 14-(oxan-2-yloxy)tetradecanal

14-(oxan-2-yloxy)tetradecanal (PubChem CID 10925017) has the molecular formula C19H36O3 and a molecular weight of 312.49 g/mol. Its IUPAC name is 14-(oxan-2-yloxy)tetradecanal.

Molecular Properties

Compound Name14-(oxan-2-yloxy)tetradecanal
PubChem CID10925017
Molecular FormulaC19H36O3
Molecular Weight312.49 g/mol
Exact Mass312.27
IUPAC Name14-(oxan-2-yloxy)tetradecanal
SMILESO=CCCCCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C19H36O3/c20-16-12-9-7-5-3-1-2-4-6-8-10-13-17-21-19-15-11-14-18-22-19/h16,19H,1-15,17-18H2
InChIKeyBIVPNBQOTJDZRW-UHFFFAOYSA-N
XLogP5.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.49
LogP ≤ 55.41
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 14-(oxan-2-yloxy)tetradecanal?
The IUPAC name of 14-(oxan-2-yloxy)tetradecanal (CID 10925017) is 14-(oxan-2-yloxy)tetradecanal.
What is the SMILES notation for 14-(oxan-2-yloxy)tetradecanal?
The canonical SMILES for 14-(oxan-2-yloxy)tetradecanal is O=CCCCCCCCCCCCCCOC1CCCCO1.
What is the InChIKey of 14-(oxan-2-yloxy)tetradecanal?
The InChIKey is BIVPNBQOTJDZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3/c20-16-12-9-7-5-3-1-2-4-6-8-10-13-17-21-19-15-11-14-18-22-19/h16,19H,1-15,17-18H2.
What are the key properties of 14-(oxan-2-yloxy)tetradecanal?
14-(oxan-2-yloxy)tetradecanal has a molecular weight of 312.49 g/mol, XLogP of 5.41, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(oxan-2-yloxy)tetradecanal is sourced from PubChem (CID 10925017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).