6-(oxan-2-yloxy)-2-phenylselanylhexanal

C17H24O3Se — CID 15725666

IUPAC6-(oxan-2-yloxy)-2-phenylselanylhexanal
SMILESO=CC(CCCCOC1CCCCO1)[Se]c1ccccc1
InChIInChI=1S/C17H24O3Se/c18-14-16(21-15-8-2-1-3-9-15)10-4-6-12-19-17-11-5-7-13-20-17/h1-3,8-9,14,16-17H,4-7,10-13H2
InChIKeyUCSCCQBIMWMDRK-UHFFFAOYSA-N
MW355.34 g/mol
LogP2.72
Rot. Bonds9

About 6-(oxan-2-yloxy)-2-phenylselanylhexanal

6-(oxan-2-yloxy)-2-phenylselanylhexanal (PubChem CID 15725666) has the molecular formula C17H24O3Se and a molecular weight of 355.34 g/mol. Its IUPAC name is 6-(oxan-2-yloxy)-2-phenylselanylhexanal.

Molecular Properties

Compound Name6-(oxan-2-yloxy)-2-phenylselanylhexanal
PubChem CID15725666
Molecular FormulaC17H24O3Se
Molecular Weight355.34 g/mol
Exact Mass356.09
IUPAC Name6-(oxan-2-yloxy)-2-phenylselanylhexanal
SMILESO=CC(CCCCOC1CCCCO1)[Se]c1ccccc1
InChIInChI=1S/C17H24O3Se/c18-14-16(21-15-8-2-1-3-9-15)10-4-6-12-19-17-11-5-7-13-20-17/h1-3,8-9,14,16-17H,4-7,10-13H2
InChIKeyUCSCCQBIMWMDRK-UHFFFAOYSA-N
XLogP2.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 52.72
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'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-(oxan-2-yloxy)-2-phenylselanylhexanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-trityloxypropoxy)oxane
CID 101461782
8-(oxan-2-yloxy)octyl benzoate
CID 11551737
11-(oxan-2-yloxy)undec-4-enyl-triphenylphosphanium iodide
CID 175312543
5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol
CID 67866640
2-(6-methylheptoxy)oxane
CID 139685112
(3R)-3-methyl-12-(oxan-2-yloxy)dodecanal
CID 10469994
phenyl 4-(oxan-2-yloxy)butanoate
CID 86032233
2-(2-phenoxyethoxy)oxane
CID 11736193
(3R,4S)-3-(benzenesulfinyl)-8-(oxan-2-yloxy)-1-phenyloct-1-en-4-ol
CID 56996319
2-amino-6-(oxan-2-yloxy)hexanoic acid
CID 146471509
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
7-(oxan-2-yloxy)-1-phenylheptan-3-one
CID 14472634

Frequently Asked Questions

What is the IUPAC name of 6-(oxan-2-yloxy)-2-phenylselanylhexanal?
The IUPAC name of 6-(oxan-2-yloxy)-2-phenylselanylhexanal (CID 15725666) is 6-(oxan-2-yloxy)-2-phenylselanylhexanal.
What is the SMILES notation for 6-(oxan-2-yloxy)-2-phenylselanylhexanal?
The canonical SMILES for 6-(oxan-2-yloxy)-2-phenylselanylhexanal is O=CC(CCCCOC1CCCCO1)[Se]c1ccccc1.
What is the InChIKey of 6-(oxan-2-yloxy)-2-phenylselanylhexanal?
The InChIKey is UCSCCQBIMWMDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3Se/c18-14-16(21-15-8-2-1-3-9-15)10-4-6-12-19-17-11-5-7-13-20-17/h1-3,8-9,14,16-17H,4-7,10-13H2.
What are the key properties of 6-(oxan-2-yloxy)-2-phenylselanylhexanal?
6-(oxan-2-yloxy)-2-phenylselanylhexanal has a molecular weight of 355.34 g/mol, XLogP of 2.72, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-2-yloxy)-2-phenylselanylhexanal is sourced from PubChem (CID 15725666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).