3-[(2R)-oxan-2-yl]oxytetradecanal

C19H36O3 — CID 18642971

IUPAC3-[(2R)-oxan-2-yl]oxytetradecanal
SMILESCCCCCCCCCCCC(CC=O)O[C@@H]1CCCCO1
InChIInChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-13-18(15-16-20)22-19-14-11-12-17-21-19/h16,18-19H,2-15,17H2,1H3/t18?,19-/m1/s1
InChIKeySMWRPBBMZSLPFD-MUMRKEEXSA-N
MW312.49 g/mol
LogP5.41
Rot. Bonds14

About 3-[(2R)-oxan-2-yl]oxytetradecanal

3-[(2R)-oxan-2-yl]oxytetradecanal (PubChem CID 18642971) has the molecular formula C19H36O3 and a molecular weight of 312.49 g/mol. Its IUPAC name is 3-[(2R)-oxan-2-yl]oxytetradecanal.

Molecular Properties

Compound Name3-[(2R)-oxan-2-yl]oxytetradecanal
PubChem CID18642971
Molecular FormulaC19H36O3
Molecular Weight312.49 g/mol
Exact Mass312.27
IUPAC Name3-[(2R)-oxan-2-yl]oxytetradecanal
SMILESCCCCCCCCCCCC(CC=O)O[C@@H]1CCCCO1
InChIInChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-13-18(15-16-20)22-19-14-11-12-17-21-19/h16,18-19H,2-15,17H2,1H3/t18?,19-/m1/s1
InChIKeySMWRPBBMZSLPFD-MUMRKEEXSA-N
XLogP5.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
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 3-[(2R)-oxan-2-yl]oxytetradecanal?
The IUPAC name of 3-[(2R)-oxan-2-yl]oxytetradecanal (CID 18642971) is 3-[(2R)-oxan-2-yl]oxytetradecanal.
What is the SMILES notation for 3-[(2R)-oxan-2-yl]oxytetradecanal?
The canonical SMILES for 3-[(2R)-oxan-2-yl]oxytetradecanal is CCCCCCCCCCCC(CC=O)O[C@@H]1CCCCO1.
What is the InChIKey of 3-[(2R)-oxan-2-yl]oxytetradecanal?
The InChIKey is SMWRPBBMZSLPFD-MUMRKEEXSA-N. The full InChI is InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-13-18(15-16-20)22-19-14-11-12-17-21-19/h16,18-19H,2-15,17H2,1H3/t18?,19-/m1/s1.
What are the key properties of 3-[(2R)-oxan-2-yl]oxytetradecanal?
3-[(2R)-oxan-2-yl]oxytetradecanal has a molecular weight of 312.49 g/mol, XLogP of 5.41, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-oxan-2-yl]oxytetradecanal is sourced from PubChem (CID 18642971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).