tert-butyl-[[4-(4-fluorophenyl)-2-methyl-5-pent-1-enyl-6-propan-2-yl-3-pyridinyl]methoxy]-dimethylsilane

C27H40FNOSi — CID 67483459

IUPACtert-butyl-[[4-(4-fluorophenyl)-2-methyl-5-pent-1-enyl-6-propan-2-yl-3-pyridinyl]methoxy]-dimethylsilane
SMILESCCCC=Cc1c(C(C)C)nc(C)c(CO[Si](C)(C)C(C)(C)C)c1-c1ccc(F)cc1
InChIInChI=1S/C27H40FNOSi/c1-10-11-12-13-23-25(21-14-16-22(28)17-15-21)24(20(4)29-26(23)19(2)3)18-30-31(8,9)27(5,6)7/h12-17,19H,10-11,18H2,1-9H3
InChIKeyGFMNIYJYCHTRMC-UHFFFAOYSA-N
MW441.71 g/mol
LogP8.65
Rot. Bonds8

About tert-butyl-[[4-(4-fluorophenyl)-2-methyl-5-pent-1-enyl-6-propan-2-yl-3-pyridinyl]methoxy]-dimethylsilane

tert-butyl-[[4-(4-fluorophenyl)-2-methyl-5-pent-1-enyl-6-propan-2-yl-3-pyridinyl]methoxy]-dimethylsilane (PubChem CID 67483459) has the molecular formula C27H40FNOSi and a molecular weight of 441.71 g/mol. Its IUPAC name is tert-butyl-[[4-(4-fluorophenyl)-2-methyl-5-pent-1-enyl-6-propan-2-yl-3-pyridinyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-(4-fluorophenyl)-2-methyl-5-pent-1-enyl-6-propan-2-yl-3-pyridinyl]methoxy]-dimethylsilane
PubChem CID67483459
Molecular FormulaC27H40FNOSi
Molecular Weight441.71 g/mol
Exact Mass441.29
IUPAC Nametert-butyl-[[4-(4-fluorophenyl)-2-methyl-5-pent-1-enyl-6-propan-2-yl-3-pyridinyl]methoxy]-dimethylsilane
SMILESCCCC=Cc1c(C(C)C)nc(C)c(CO[Si](C)(C)C(C)(C)C)c1-c1ccc(F)cc1
InChIInChI=1S/C27H40FNOSi/c1-10-11-12-13-23-25(21-14-16-22(28)17-15-21)24(20(4)29-26(23)19(2)3)18-30-31(8,9)27(5,6)7/h12-17,19H,10-11,18H2,1-9H3
InChIKeyGFMNIYJYCHTRMC-UHFFFAOYSA-N
XLogP8.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.71
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-fluorophenyl)-2-methyl-5-[(E)-pent-1-enyl]-6-propan-2-yl-3-pyridinyl]methanol
CID 22004996
1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]methanimine
CID 56984254
methyl 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
CID 172730211
[4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005039
tert-butyl-[[4-(4-fluorophenyl)-5-[1-(1H-imidazol-2-ylsulfanyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methoxy]-dimethylsilane
CID 54406427
tert-butyl-[[4-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methoxy]-dimethylsilane
CID 22004982
[5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-4-thiophen-3-yl-3-pyridinyl]methanol
CID 22005277
[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]-(1-methylimidazol-2-yl)methanethiol
CID 57198125
[4-(3,4-dichlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005272
(E)-3-[4-(4-fluorophenyl)-5-[(E)-3-oxoprop-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]prop-2-enal
CID 15924228
2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-3-pentyl-6-propan-2-yl-2-pyridinyl]propan-2-ol
CID 22005138
(3-carboxy-2-hydroxypropyl)-[3-[5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]prop-2-enoxy]-oxophosphanium
CID 67735810

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-(4-fluorophenyl)-2-methyl-5-pent-1-enyl-6-propan-2-yl-3-pyridinyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-(4-fluorophenyl)-2-methyl-5-pent-1-enyl-6-propan-2-yl-3-pyridinyl]methoxy]-dimethylsilane (CID 67483459) is tert-butyl-[[4-(4-fluorophenyl)-2-methyl-5-pent-1-enyl-6-propan-2-yl-3-pyridinyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-(4-fluorophenyl)-2-methyl-5-pent-1-enyl-6-propan-2-yl-3-pyridinyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-(4-fluorophenyl)-2-methyl-5-pent-1-enyl-6-propan-2-yl-3-pyridinyl]methoxy]-dimethylsilane is CCCC=Cc1c(C(C)C)nc(C)c(CO[Si](C)(C)C(C)(C)C)c1-c1ccc(F)cc1.
What is the InChIKey of tert-butyl-[[4-(4-fluorophenyl)-2-methyl-5-pent-1-enyl-6-propan-2-yl-3-pyridinyl]methoxy]-dimethylsilane?
The InChIKey is GFMNIYJYCHTRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40FNOSi/c1-10-11-12-13-23-25(21-14-16-22(28)17-15-21)24(20(4)29-26(23)19(2)3)18-30-31(8,9)27(5,6)7/h12-17,19H,10-11,18H2,1-9H3.
What are the key properties of tert-butyl-[[4-(4-fluorophenyl)-2-methyl-5-pent-1-enyl-6-propan-2-yl-3-pyridinyl]methoxy]-dimethylsilane?
tert-butyl-[[4-(4-fluorophenyl)-2-methyl-5-pent-1-enyl-6-propan-2-yl-3-pyridinyl]methoxy]-dimethylsilane has a molecular weight of 441.71 g/mol, XLogP of 8.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-(4-fluorophenyl)-2-methyl-5-pent-1-enyl-6-propan-2-yl-3-pyridinyl]methoxy]-dimethylsilane is sourced from PubChem (CID 67483459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).