(3R)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-triethylsilyloxypent-4-en-1-one;osmium(1+)

C16H26NO2OsSSi — CID 173271111

IUPAC(3R)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-triethylsilyloxypent-4-en-1-one;osmium(1+)
SMILESCC[Si](CC)(CC)O[C@H](C[C-]=O)C(C)=Cc1csc(C)n1.[Os+]
InChIInChI=1S/C16H26NO2SSi.Os/c1-6-21(7-2,8-3)19-16(9-10-18)13(4)11-15-12-20-14(5)17-15;/h11-12,16H,6-9H2,1-5H3;/q-1;+1/t16-;/m1./s1
InChIKeyUDNRMBCIXMEZQM-PKLMIRHRSA-N
MW514.77 g/mol
LogP4.74
Rot. Bonds9

About (3R)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-triethylsilyloxypent-4-en-1-one;osmium(1+)

(3R)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-triethylsilyloxypent-4-en-1-one;osmium(1+) (PubChem CID 173271111) has the molecular formula C16H26NO2OsSSi and a molecular weight of 514.77 g/mol. Its IUPAC name is (3R)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-triethylsilyloxypent-4-en-1-one;osmium(1+).

Molecular Properties

Compound Name(3R)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-triethylsilyloxypent-4-en-1-one;osmium(1+)
PubChem CID173271111
Molecular FormulaC16H26NO2OsSSi
Molecular Weight514.77 g/mol
Exact Mass516.11
IUPAC Name(3R)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-triethylsilyloxypent-4-en-1-one;osmium(1+)
SMILESCC[Si](CC)(CC)O[C@H](C[C-]=O)C(C)=Cc1csc(C)n1.[Os+]
InChIInChI=1S/C16H26NO2SSi.Os/c1-6-21(7-2,8-3)19-16(9-10-18)13(4)11-15-12-20-14(5)17-15;/h11-12,16H,6-9H2,1-5H3;/q-1;+1/t16-;/m1./s1
InChIKeyUDNRMBCIXMEZQM-PKLMIRHRSA-N
XLogP4.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.77
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-triethylsilyloxypent-4-en-1-one;osmium(1+)?
The IUPAC name of (3R)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-triethylsilyloxypent-4-en-1-one;osmium(1+) (CID 173271111) is (3R)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-triethylsilyloxypent-4-en-1-one;osmium(1+).
What is the SMILES notation for (3R)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-triethylsilyloxypent-4-en-1-one;osmium(1+)?
The canonical SMILES for (3R)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-triethylsilyloxypent-4-en-1-one;osmium(1+) is CC[Si](CC)(CC)O[C@H](C[C-]=O)C(C)=Cc1csc(C)n1.[Os+].
What is the InChIKey of (3R)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-triethylsilyloxypent-4-en-1-one;osmium(1+)?
The InChIKey is UDNRMBCIXMEZQM-PKLMIRHRSA-N. The full InChI is InChI=1S/C16H26NO2SSi.Os/c1-6-21(7-2,8-3)19-16(9-10-18)13(4)11-15-12-20-14(5)17-15;/h11-12,16H,6-9H2,1-5H3;/q-1;+1/t16-;/m1./s1.
What are the key properties of (3R)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-triethylsilyloxypent-4-en-1-one;osmium(1+)?
(3R)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-triethylsilyloxypent-4-en-1-one;osmium(1+) has a molecular weight of 514.77 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-triethylsilyloxypent-4-en-1-one;osmium(1+) is sourced from PubChem (CID 173271111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).