[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone

C19H25NO2Si — CID 23302942

IUPAC[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C(=O)c2cccnc2)cc1
InChIInChI=1S/C19H25NO2Si/c1-19(2,3)23(4,5)22-14-15-8-10-16(11-9-15)18(21)17-7-6-12-20-13-17/h6-13H,14H2,1-5H3
InChIKeyRFPFCSAFGSCWPL-UHFFFAOYSA-N
MW327.50 g/mol
LogP4.83
Rot. Bonds5

About [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone

[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone (PubChem CID 23302942) has the molecular formula C19H25NO2Si and a molecular weight of 327.50 g/mol. Its IUPAC name is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone
PubChem CID23302942
Molecular FormulaC19H25NO2Si
Molecular Weight327.50 g/mol
Exact Mass327.17
IUPAC Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C(=O)c2cccnc2)cc1
InChIInChI=1S/C19H25NO2Si/c1-19(2,3)23(4,5)22-14-15-8-10-16(11-9-15)18(21)17-7-6-12-20-13-17/h6-13H,14H2,1-5H3
InChIKeyRFPFCSAFGSCWPL-UHFFFAOYSA-N
XLogP4.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid
CID 10320222
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanol
CID 23302982
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methoxy-N-methylbenzamide
CID 89407391
acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate
CID 90798603
1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanone
CID 171363881
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
(4-fluorophenyl)-pyridin-3-ylmethanone
CID 762660
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one
CID 70662263
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711

Frequently Asked Questions

What is the IUPAC name of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone (CID 23302942) is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone is CC(C)(C)[Si](C)(C)OCc1ccc(C(=O)c2cccnc2)cc1.
What is the InChIKey of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone?
The InChIKey is RFPFCSAFGSCWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2Si/c1-19(2,3)23(4,5)22-14-15-8-10-16(11-9-15)18(21)17-7-6-12-20-13-17/h6-13H,14H2,1-5H3.
What are the key properties of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone?
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone has a molecular weight of 327.50 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 23302942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).