tert-butyl-[(1E,3S,5Z,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-yl]oxy-dimethylsilane

C27H47NO3SSi — CID 11225652

IUPACtert-butyl-[(1E,3S,5Z,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-yl]oxy-dimethylsilane
SMILESC/C(=C\c1csc(C)n1)[C@H](C/C=C\CCC[C@H](C)[C@@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H47NO3SSi/c1-20(25-18-29-27(7,8)30-25)15-13-11-12-14-16-24(31-33(9,10)26(4,5)6)21(2)17-23-19-32-22(3)28-23/h12,14,17,19-20,24-25H,11,13,15-16,18H2,1-10H3/b14-12-,21-17+/t20-,24-,25-/m0/s1
InChIKeyZCJMGRMJCFVWRA-SDONHTGZSA-N
MW493.83 g/mol
LogP8.15
Rot. Bonds11

About tert-butyl-[(1E,3S,5Z,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-yl]oxy-dimethylsilane

tert-butyl-[(1E,3S,5Z,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-yl]oxy-dimethylsilane (PubChem CID 11225652) has the molecular formula C27H47NO3SSi and a molecular weight of 493.83 g/mol. Its IUPAC name is tert-butyl-[(1E,3S,5Z,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1E,3S,5Z,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-yl]oxy-dimethylsilane
PubChem CID11225652
Molecular FormulaC27H47NO3SSi
Molecular Weight493.83 g/mol
Exact Mass493.30
IUPAC Nametert-butyl-[(1E,3S,5Z,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-yl]oxy-dimethylsilane
SMILESC/C(=C\c1csc(C)n1)[C@H](C/C=C\CCC[C@H](C)[C@@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H47NO3SSi/c1-20(25-18-29-27(7,8)30-25)15-13-11-12-14-16-24(31-33(9,10)26(4,5)6)21(2)17-23-19-32-22(3)28-23/h12,14,17,19-20,24-25H,11,13,15-16,18H2,1-10H3/b14-12-,21-17+/t20-,24-,25-/m0/s1
InChIKeyZCJMGRMJCFVWRA-SDONHTGZSA-N
XLogP8.15
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.83
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

tert-butyl-[(2S,6Z,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,10-dimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienoxy]-dimethylsilane
CID 11006034
(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
CID 6167478
(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
(2R)-5-[(2R,3S)-3-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-enyl]-2-methyloxiran-2-yl]-2-methylpentanal
CID 135710922
(4R,5S,10Z,13S,14E)-13-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxan-4-yl)-5-hydroxy-2,6,10,14-tetramethyl-15-(2-methyl-1,3-thiazol-4-yl)-4-propylpentadeca-10,14-dien-3-one
CID 58443513
(5R)-5-[(E,1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enyl]-5-methyloxolan-2-one
CID 11101984
(4Z,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-9-(2-methyl-1,3-thiazol-4-yl)nona-4,8-dienenitrile
CID 11372734
propan-2-yl (3S,6R,7S,8S,12Z,15S,16E)-15-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8,16-pentamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxo-7-phenylmethoxyheptadeca-12,16-dienoate
CID 101110325
(4R,8Z,11S,12E)-11-hydroxy-4,12-dimethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-3-one
CID 101129993
(3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(1S,2S)-2-[(E)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-enyl]cyclobutyl]-1-hydroxy-4,4,6,8-tetramethylundecan-5-one
CID 101143966
[3-[(E)-2-methoxy-3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-enyl]-2-methyloxiran-2-yl]methanol
CID 18739761

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1E,3S,5Z,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1E,3S,5Z,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-yl]oxy-dimethylsilane (CID 11225652) is tert-butyl-[(1E,3S,5Z,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1E,3S,5Z,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1E,3S,5Z,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-yl]oxy-dimethylsilane is C/C(=C\c1csc(C)n1)[C@H](C/C=C\CCC[C@H](C)[C@@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1E,3S,5Z,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-yl]oxy-dimethylsilane?
The InChIKey is ZCJMGRMJCFVWRA-SDONHTGZSA-N. The full InChI is InChI=1S/C27H47NO3SSi/c1-20(25-18-29-27(7,8)30-25)15-13-11-12-14-16-24(31-33(9,10)26(4,5)6)21(2)17-23-19-32-22(3)28-23/h12,14,17,19-20,24-25H,11,13,15-16,18H2,1-10H3/b14-12-,21-17+/t20-,24-,25-/m0/s1.
What are the key properties of tert-butyl-[(1E,3S,5Z,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-yl]oxy-dimethylsilane?
tert-butyl-[(1E,3S,5Z,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-yl]oxy-dimethylsilane has a molecular weight of 493.83 g/mol, XLogP of 8.15, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1E,3S,5Z,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11225652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).