tert-butyl-dimethyl-[1-(1,2,4-oxadiazol-5-yl)-7-phenylheptoxy]silane

C21H34N2O2Si — CID 58366278

IUPACtert-butyl-dimethyl-[1-(1,2,4-oxadiazol-5-yl)-7-phenylheptoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC(CCCCCCc1ccccc1)c1ncno1
InChIInChI=1S/C21H34N2O2Si/c1-21(2,3)26(4,5)25-19(20-22-17-23-24-20)16-12-7-6-9-13-18-14-10-8-11-15-18/h8,10-11,14-15,17,19H,6-7,9,12-13,16H2,1-5H3
InChIKeyRHJKQKQPBKOBTR-UHFFFAOYSA-N
MW374.60 g/mol
LogP6.33
Rot. Bonds10

About tert-butyl-dimethyl-[1-(1,2,4-oxadiazol-5-yl)-7-phenylheptoxy]silane

tert-butyl-dimethyl-[1-(1,2,4-oxadiazol-5-yl)-7-phenylheptoxy]silane (PubChem CID 58366278) has the molecular formula C21H34N2O2Si and a molecular weight of 374.60 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-(1,2,4-oxadiazol-5-yl)-7-phenylheptoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-(1,2,4-oxadiazol-5-yl)-7-phenylheptoxy]silane
PubChem CID58366278
Molecular FormulaC21H34N2O2Si
Molecular Weight374.60 g/mol
Exact Mass374.24
IUPAC Nametert-butyl-dimethyl-[1-(1,2,4-oxadiazol-5-yl)-7-phenylheptoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC(CCCCCCc1ccccc1)c1ncno1
InChIInChI=1S/C21H34N2O2Si/c1-21(2,3)26(4,5)25-19(20-22-17-23-24-20)16-12-7-6-9-13-18-14-10-8-11-15-18/h8,10-11,14-15,17,19H,6-7,9,12-13,16H2,1-5H3
InChIKeyRHJKQKQPBKOBTR-UHFFFAOYSA-N
XLogP6.33
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.60
LogP ≤ 56.33
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'}

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Related Compounds

tert-butyl-dimethyl-[7-phenyl-1-(1,3-thiazol-2-yl)heptoxy]silane
CID 58366200
tert-butyl-dimethyl-[7-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)heptoxy]silane
CID 58366193
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
tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane
CID 139249096
(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-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane
CID 132522568
(2S,3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-amine
CID 46237115
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-[1-(1,2,4-oxadiazol-5-yl)-7-phenylheptoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[1-(1,2,4-oxadiazol-5-yl)-7-phenylheptoxy]silane (CID 58366278) is tert-butyl-dimethyl-[1-(1,2,4-oxadiazol-5-yl)-7-phenylheptoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[1-(1,2,4-oxadiazol-5-yl)-7-phenylheptoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[1-(1,2,4-oxadiazol-5-yl)-7-phenylheptoxy]silane is CC(C)(C)[Si](C)(C)OC(CCCCCCc1ccccc1)c1ncno1.
What is the InChIKey of tert-butyl-dimethyl-[1-(1,2,4-oxadiazol-5-yl)-7-phenylheptoxy]silane?
The InChIKey is RHJKQKQPBKOBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2Si/c1-21(2,3)26(4,5)25-19(20-22-17-23-24-20)16-12-7-6-9-13-18-14-10-8-11-15-18/h8,10-11,14-15,17,19H,6-7,9,12-13,16H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[1-(1,2,4-oxadiazol-5-yl)-7-phenylheptoxy]silane?
tert-butyl-dimethyl-[1-(1,2,4-oxadiazol-5-yl)-7-phenylheptoxy]silane has a molecular weight of 374.60 g/mol, XLogP of 6.33, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-(1,2,4-oxadiazol-5-yl)-7-phenylheptoxy]silane is sourced from PubChem (CID 58366278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).