tert-butyl-dimethyl-[7-phenyl-1-(1,3-thiazol-2-yl)heptoxy]silane

C22H35NOSSi — CID 58366200

IUPACtert-butyl-dimethyl-[7-phenyl-1-(1,3-thiazol-2-yl)heptoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC(CCCCCCc1ccccc1)c1nccs1
InChIInChI=1S/C22H35NOSSi/c1-22(2,3)26(4,5)24-20(21-23-17-18-25-21)16-12-7-6-9-13-19-14-10-8-11-15-19/h8,10-11,14-15,17-18,20H,6-7,9,12-13,16H2,1-5H3
InChIKeyUDUHLTPUDSUFIC-UHFFFAOYSA-N
MW389.68 g/mol
LogP7.40
Rot. Bonds10

About tert-butyl-dimethyl-[7-phenyl-1-(1,3-thiazol-2-yl)heptoxy]silane

tert-butyl-dimethyl-[7-phenyl-1-(1,3-thiazol-2-yl)heptoxy]silane (PubChem CID 58366200) has the molecular formula C22H35NOSSi and a molecular weight of 389.68 g/mol. Its IUPAC name is tert-butyl-dimethyl-[7-phenyl-1-(1,3-thiazol-2-yl)heptoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[7-phenyl-1-(1,3-thiazol-2-yl)heptoxy]silane
PubChem CID58366200
Molecular FormulaC22H35NOSSi
Molecular Weight389.68 g/mol
Exact Mass389.22
IUPAC Nametert-butyl-dimethyl-[7-phenyl-1-(1,3-thiazol-2-yl)heptoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC(CCCCCCc1ccccc1)c1nccs1
InChIInChI=1S/C22H35NOSSi/c1-22(2,3)26(4,5)24-20(21-23-17-18-25-21)16-12-7-6-9-13-19-14-10-8-11-15-19/h8,10-11,14-15,17-18,20H,6-7,9,12-13,16H2,1-5H3
InChIKeyUDUHLTPUDSUFIC-UHFFFAOYSA-N
XLogP7.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.68
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[1-(1,2,4-oxadiazol-5-yl)-7-phenylheptoxy]silane
CID 58366278
tert-butyl-dimethyl-[7-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)heptoxy]silane
CID 58366193
(1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol
CID 174457838
tert-butyl-dimethyl-[(E)-6-phenyl-2-(1,3-thiazol-2-yl)hex-3-enoxy]silane
CID 132602283
2-(1,4-diphenylbutyl)-1,3-thiazole
CID 176916353
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
CID 10789748
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
CID 139246891
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol
CID 57308546
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentan-2-ol
CID 67144308
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane
CID 135068187
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[7-phenyl-1-(1,3-thiazol-2-yl)heptoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[7-phenyl-1-(1,3-thiazol-2-yl)heptoxy]silane (CID 58366200) is tert-butyl-dimethyl-[7-phenyl-1-(1,3-thiazol-2-yl)heptoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[7-phenyl-1-(1,3-thiazol-2-yl)heptoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[7-phenyl-1-(1,3-thiazol-2-yl)heptoxy]silane is CC(C)(C)[Si](C)(C)OC(CCCCCCc1ccccc1)c1nccs1.
What is the InChIKey of tert-butyl-dimethyl-[7-phenyl-1-(1,3-thiazol-2-yl)heptoxy]silane?
The InChIKey is UDUHLTPUDSUFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NOSSi/c1-22(2,3)26(4,5)24-20(21-23-17-18-25-21)16-12-7-6-9-13-19-14-10-8-11-15-19/h8,10-11,14-15,17-18,20H,6-7,9,12-13,16H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[7-phenyl-1-(1,3-thiazol-2-yl)heptoxy]silane?
tert-butyl-dimethyl-[7-phenyl-1-(1,3-thiazol-2-yl)heptoxy]silane has a molecular weight of 389.68 g/mol, XLogP of 7.40, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[7-phenyl-1-(1,3-thiazol-2-yl)heptoxy]silane is sourced from PubChem (CID 58366200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).