(3R)-3-phenylmethoxytetradecanal

C21H34O2 — CID 10925205

IUPAC(3R)-3-phenylmethoxytetradecanal
SMILESCCCCCCCCCCC[C@H](CC=O)OCc1ccccc1
InChIInChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-13-16-21(17-18-22)23-19-20-14-11-10-12-15-20/h10-12,14-15,18,21H,2-9,13,16-17,19H2,1H3/t21-/m1/s1
InChIKeyXEVZLJCXXPDLCG-OAQYLSRUSA-N
MW318.50 g/mol
LogP6.08
Rot. Bonds15

About (3R)-3-phenylmethoxytetradecanal

(3R)-3-phenylmethoxytetradecanal (PubChem CID 10925205) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is (3R)-3-phenylmethoxytetradecanal.

Molecular Properties

Compound Name(3R)-3-phenylmethoxytetradecanal
PubChem CID10925205
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Name(3R)-3-phenylmethoxytetradecanal
SMILESCCCCCCCCCCC[C@H](CC=O)OCc1ccccc1
InChIInChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-13-16-21(17-18-22)23-19-20-14-11-10-12-15-20/h10-12,14-15,18,21H,2-9,13,16-17,19H2,1H3/t21-/m1/s1
InChIKeyXEVZLJCXXPDLCG-OAQYLSRUSA-N
XLogP6.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3R)-3-phenylmethoxytetradecanal?
The IUPAC name of (3R)-3-phenylmethoxytetradecanal (CID 10925205) is (3R)-3-phenylmethoxytetradecanal.
What is the SMILES notation for (3R)-3-phenylmethoxytetradecanal?
The canonical SMILES for (3R)-3-phenylmethoxytetradecanal is CCCCCCCCCCC[C@H](CC=O)OCc1ccccc1.
What is the InChIKey of (3R)-3-phenylmethoxytetradecanal?
The InChIKey is XEVZLJCXXPDLCG-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-13-16-21(17-18-22)23-19-20-14-11-10-12-15-20/h10-12,14-15,18,21H,2-9,13,16-17,19H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-3-phenylmethoxytetradecanal?
(3R)-3-phenylmethoxytetradecanal has a molecular weight of 318.50 g/mol, XLogP of 6.08, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenylmethoxytetradecanal is sourced from PubChem (CID 10925205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).