(4R,6S)-4-methyl-2-(4-methylphenyl)-6-pentyl-5,6-dihydro-1,3-selenazin-4-ol

C17H25NOSe — CID 10497207

IUPAC(4R,6S)-4-methyl-2-(4-methylphenyl)-6-pentyl-5,6-dihydro-1,3-selenazin-4-ol
SMILESCCCCC[C@H]1C[C@@](C)(O)N=C(c2ccc(C)cc2)[Se]1
InChIInChI=1S/C17H25NOSe/c1-4-5-6-7-15-12-17(3,19)18-16(20-15)14-10-8-13(2)9-11-14/h8-11,15,19H,4-7,12H2,1-3H3/t15-,17+/m0/s1
InChIKeyXQVXGFPSNNDOFN-DOTOQJQBSA-N
MW338.35 g/mol
LogP3.93
Rot. Bonds5

About (4R,6S)-4-methyl-2-(4-methylphenyl)-6-pentyl-5,6-dihydro-1,3-selenazin-4-ol

(4R,6S)-4-methyl-2-(4-methylphenyl)-6-pentyl-5,6-dihydro-1,3-selenazin-4-ol (PubChem CID 10497207) has the molecular formula C17H25NOSe and a molecular weight of 338.35 g/mol. Its IUPAC name is (4R,6S)-4-methyl-2-(4-methylphenyl)-6-pentyl-5,6-dihydro-1,3-selenazin-4-ol.

Molecular Properties

Compound Name(4R,6S)-4-methyl-2-(4-methylphenyl)-6-pentyl-5,6-dihydro-1,3-selenazin-4-ol
PubChem CID10497207
Molecular FormulaC17H25NOSe
Molecular Weight338.35 g/mol
Exact Mass339.11
IUPAC Name(4R,6S)-4-methyl-2-(4-methylphenyl)-6-pentyl-5,6-dihydro-1,3-selenazin-4-ol
SMILESCCCCC[C@H]1C[C@@](C)(O)N=C(c2ccc(C)cc2)[Se]1
InChIInChI=1S/C17H25NOSe/c1-4-5-6-7-15-12-17(3,19)18-16(20-15)14-10-8-13(2)9-11-14/h8-11,15,19H,4-7,12H2,1-3H3/t15-,17+/m0/s1
InChIKeyXQVXGFPSNNDOFN-DOTOQJQBSA-N
XLogP3.93
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-methyl-2-(4-methylphenyl)-6-pentyl-5,6-dihydro-1,3-selenazin-4-ol?
The IUPAC name of (4R,6S)-4-methyl-2-(4-methylphenyl)-6-pentyl-5,6-dihydro-1,3-selenazin-4-ol (CID 10497207) is (4R,6S)-4-methyl-2-(4-methylphenyl)-6-pentyl-5,6-dihydro-1,3-selenazin-4-ol.
What is the SMILES notation for (4R,6S)-4-methyl-2-(4-methylphenyl)-6-pentyl-5,6-dihydro-1,3-selenazin-4-ol?
The canonical SMILES for (4R,6S)-4-methyl-2-(4-methylphenyl)-6-pentyl-5,6-dihydro-1,3-selenazin-4-ol is CCCCC[C@H]1C[C@@](C)(O)N=C(c2ccc(C)cc2)[Se]1.
What is the InChIKey of (4R,6S)-4-methyl-2-(4-methylphenyl)-6-pentyl-5,6-dihydro-1,3-selenazin-4-ol?
The InChIKey is XQVXGFPSNNDOFN-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H25NOSe/c1-4-5-6-7-15-12-17(3,19)18-16(20-15)14-10-8-13(2)9-11-14/h8-11,15,19H,4-7,12H2,1-3H3/t15-,17+/m0/s1.
What are the key properties of (4R,6S)-4-methyl-2-(4-methylphenyl)-6-pentyl-5,6-dihydro-1,3-selenazin-4-ol?
(4R,6S)-4-methyl-2-(4-methylphenyl)-6-pentyl-5,6-dihydro-1,3-selenazin-4-ol has a molecular weight of 338.35 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-methyl-2-(4-methylphenyl)-6-pentyl-5,6-dihydro-1,3-selenazin-4-ol is sourced from PubChem (CID 10497207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).