5-[(14R)-14-[tert-butyl(dimethyl)silyl]oxyoctadec-12-enyl]-4-hydroxy-3H-1,3-thiazol-2-one

C27H51NO3SSi — CID 90813006

IUPAC5-[(14R)-14-[tert-butyl(dimethyl)silyl]oxyoctadec-12-enyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESCCCC[C@H](C=CCCCCCCCCCCCc1sc(=O)[nH]c1O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H51NO3SSi/c1-7-8-20-23(31-33(5,6)27(2,3)4)21-18-16-14-12-10-9-11-13-15-17-19-22-24-25(29)28-26(30)32-24/h18,21,23,29H,7-17,19-20,22H2,1-6H3,(H,28,30)/t23-/m1/s1
InChIKeyUTLWTFOICRWINW-HSZRJFAPSA-N
MW497.86 g/mol
LogP8.72
Rot. Bonds18

About 5-[(14R)-14-[tert-butyl(dimethyl)silyl]oxyoctadec-12-enyl]-4-hydroxy-3H-1,3-thiazol-2-one

5-[(14R)-14-[tert-butyl(dimethyl)silyl]oxyoctadec-12-enyl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 90813006) has the molecular formula C27H51NO3SSi and a molecular weight of 497.86 g/mol. Its IUPAC name is 5-[(14R)-14-[tert-butyl(dimethyl)silyl]oxyoctadec-12-enyl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(14R)-14-[tert-butyl(dimethyl)silyl]oxyoctadec-12-enyl]-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID90813006
Molecular FormulaC27H51NO3SSi
Molecular Weight497.86 g/mol
Exact Mass497.34
IUPAC Name5-[(14R)-14-[tert-butyl(dimethyl)silyl]oxyoctadec-12-enyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESCCCC[C@H](C=CCCCCCCCCCCCc1sc(=O)[nH]c1O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H51NO3SSi/c1-7-8-20-23(31-33(5,6)27(2,3)4)21-18-16-14-12-10-9-11-13-15-17-19-22-24-25(29)28-26(30)32-24/h18,21,23,29H,7-17,19-20,22H2,1-6H3,(H,28,30)/t23-/m1/s1
InChIKeyUTLWTFOICRWINW-HSZRJFAPSA-N
XLogP8.72
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.86
LogP ≤ 58.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal
CID 71343055
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
tert-butyl-(1-iodooct-1-en-3-yloxy)-dimethylsilane
CID 53400857
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 56641063
tert-butyl-dimethyl-[(3R)-1-tributylstannyloct-1-en-3-yl]oxysilane
CID 173153144
methyl (Z)-11-trimethylsilyloxyoctadec-9-enoate
CID 5366650
methyl (E)-13-trimethylsilyloxyoctadec-11-enoate
CID 10000118
tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-5-yl]oxy-dimethylsilane
CID 141158621
tert-butyl (4S)-4-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxyhexadec-2-enyl]-2-oxo-1,3-oxazolidine-5-carboxylate
CID 11656754
3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 134983111
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520

Frequently Asked Questions

What is the IUPAC name of 5-[(14R)-14-[tert-butyl(dimethyl)silyl]oxyoctadec-12-enyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[(14R)-14-[tert-butyl(dimethyl)silyl]oxyoctadec-12-enyl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 90813006) is 5-[(14R)-14-[tert-butyl(dimethyl)silyl]oxyoctadec-12-enyl]-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(14R)-14-[tert-butyl(dimethyl)silyl]oxyoctadec-12-enyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[(14R)-14-[tert-butyl(dimethyl)silyl]oxyoctadec-12-enyl]-4-hydroxy-3H-1,3-thiazol-2-one is CCCC[C@H](C=CCCCCCCCCCCCc1sc(=O)[nH]c1O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[(14R)-14-[tert-butyl(dimethyl)silyl]oxyoctadec-12-enyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is UTLWTFOICRWINW-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H51NO3SSi/c1-7-8-20-23(31-33(5,6)27(2,3)4)21-18-16-14-12-10-9-11-13-15-17-19-22-24-25(29)28-26(30)32-24/h18,21,23,29H,7-17,19-20,22H2,1-6H3,(H,28,30)/t23-/m1/s1.
What are the key properties of 5-[(14R)-14-[tert-butyl(dimethyl)silyl]oxyoctadec-12-enyl]-4-hydroxy-3H-1,3-thiazol-2-one?
5-[(14R)-14-[tert-butyl(dimethyl)silyl]oxyoctadec-12-enyl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 497.86 g/mol, XLogP of 8.72, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(14R)-14-[tert-butyl(dimethyl)silyl]oxyoctadec-12-enyl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 90813006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).