(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'}

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

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Launch Full Analysis

Related Compounds

triethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane
CID 90972349
2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole
CID 74067620
4-[(1E)-3-methoxy-2-methylhepta-1,5-dienyl]-2-methyl-1,3-thiazole;molecular iodine;yttrium
CID 160666379
4-[(3S)-6-iodo-3-methoxy-2-methylhexa-1,5-dienyl]-2-methyl-1,3-thiazole
CID 91359235
(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
CID 6167478
[(2S,3S)-2-[(4S)-5-hydroxy-4-methylpentyl]-3-[(E,2S)-3-methyl-4-(2-methyl-1,3-thiazol-4-yl)-2-triethylsilyloxybut-3-enyl]oxiran-2-yl]methyl methanesulfonate
CID 58641984
(E,3S)-3-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid
CID 11831158
[(1E,3S,5Z)-2,6-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)octa-1,5,7-trien-3-yl] acetate
CID 11266290
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)hepta-2,6-dien-1-ol
CID 57270333
(2Z,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)hepta-2,6-dien-1-ol
CID 6025407
(1E,3R,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-ol
CID 59922940
(E,6R)-6-hydroxy-7-methyl-8-(2-methyl-1,3-thiazol-4-yl)oct-7-en-4-one
CID 101057774

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).