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

C29H55NO2SSi2 — CID 11006034

IUPACtert-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
SMILESC/C(=C\c1csc(C)n1)[C@H](C/C=C\CCC[C@H](C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H55NO2SSi2/c1-23(21-31-34(10,11)28(4,5)6)18-16-14-15-17-19-27(32-35(12,13)29(7,8)9)24(2)20-26-22-33-25(3)30-26/h15,17,20,22-23,27H,14,16,18-19,21H2,1-13H3/b17-15-,24-20+/t23-,27-/m0/s1
InChIKeyHMIUHMXTMZGMGV-ULNPPAAGSA-N
MW538.00 g/mol
LogP10.02
Rot. Bonds13

About 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

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 (PubChem CID 11006034) has the molecular formula C29H55NO2SSi2 and a molecular weight of 538.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID11006034
Molecular FormulaC29H55NO2SSi2
Molecular Weight538.00 g/mol
Exact Mass537.35
IUPAC Nametert-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
SMILESC/C(=C\c1csc(C)n1)[C@H](C/C=C\CCC[C@H](C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H55NO2SSi2/c1-23(21-31-34(10,11)28(4,5)6)18-16-14-15-17-19-27(32-35(12,13)29(7,8)9)24(2)20-26-22-33-25(3)30-26/h15,17,20,22-23,27H,14,16,18-19,21H2,1-13H3/b17-15-,24-20+/t23-,27-/m0/s1
InChIKeyHMIUHMXTMZGMGV-ULNPPAAGSA-N
XLogP10.02
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.00
LogP ≤ 510.02
H-Bond Donors ≤ 50
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

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
(1E,5Z)-11-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-ol
CID 22559383
(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,3S,4S,8Z,11S,12E)-1-[1-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]cyclobutyl]-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,8,12-tetramethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-1-one
CID 87696042
(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
(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
1,3,7,15-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)heptadeca-12,16-dien-5-one
CID 3504418
(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
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
(15S)-3,7,15-tris[[tert-butyl(dimethyl)silyl]oxy]-6-ethyl-4,4,8,12,16-pentamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxoheptadeca-12,16-dienal
CID 90813669

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C(=C\c1csc(C)n1)[C@H](C/C=C\CCC[C@H](C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is HMIUHMXTMZGMGV-ULNPPAAGSA-N. The full InChI is InChI=1S/C29H55NO2SSi2/c1-23(21-31-34(10,11)28(4,5)6)18-16-14-15-17-19-27(32-35(12,13)29(7,8)9)24(2)20-26-22-33-25(3)30-26/h15,17,20,22-23,27H,14,16,18-19,21H2,1-13H3/b17-15-,24-20+/t23-,27-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 538.00 g/mol, XLogP of 10.02, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11006034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).