1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone

C15H28ClNO2Si — CID 58782054

IUPAC1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone
SMILESCN1CC=C(C(=O)CCl)C[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28ClNO2Si/c1-15(2,3)20(5,6)19-11-13-9-12(14(18)10-16)7-8-17(13)4/h7,13H,8-11H2,1-6H3/t13-/m1/s1
InChIKeyFVKHCYVYNGOFDE-CYBMUJFWSA-N
MW317.93 g/mol
LogP3.45
Rot. Bonds5

About 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone

1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone (PubChem CID 58782054) has the molecular formula C15H28ClNO2Si and a molecular weight of 317.93 g/mol. Its IUPAC name is 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone.

Molecular Properties

Compound Name1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone
PubChem CID58782054
Molecular FormulaC15H28ClNO2Si
Molecular Weight317.93 g/mol
Exact Mass317.16
IUPAC Name1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone
SMILESCN1CC=C(C(=O)CCl)C[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28ClNO2Si/c1-15(2,3)20(5,6)19-11-13-9-12(14(18)10-16)7-8-17(13)4/h7,13H,8-11H2,1-6H3/t13-/m1/s1
InChIKeyFVKHCYVYNGOFDE-CYBMUJFWSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.93
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloroacetyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 87828403
1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-3H-1,3-thiazole-2-thione;methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 159738820
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
CID 69348864
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-ethyl-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxamide
CID 101223532
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
CID 10852705
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 91568304
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepiperidine-1-carboxylate
CID 66733909
tert-butyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate
CID 23631416
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylate
CID 67633255
(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-propan-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 10783302
ethyl (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 10521786
tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate
CID 66622874

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone?
The IUPAC name of 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone (CID 58782054) is 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone.
What is the SMILES notation for 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone?
The canonical SMILES for 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone is CN1CC=C(C(=O)CCl)C[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone?
The InChIKey is FVKHCYVYNGOFDE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28ClNO2Si/c1-15(2,3)20(5,6)19-11-13-9-12(14(18)10-16)7-8-17(13)4/h7,13H,8-11H2,1-6H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone?
1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone has a molecular weight of 317.93 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone is sourced from PubChem (CID 58782054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).