tert-butyl-[(1R,2R)-1-(3,5-dichloro-4-pyridinyl)-1-methoxypropan-2-yl]oxy-dimethylsilane

C15H25Cl2NO2Si — CID 140893776

IUPACtert-butyl-[(1R,2R)-1-(3,5-dichloro-4-pyridinyl)-1-methoxypropan-2-yl]oxy-dimethylsilane
SMILESCO[C@H](c1c(Cl)cncc1Cl)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H25Cl2NO2Si/c1-10(20-21(6,7)15(2,3)4)14(19-5)13-11(16)8-18-9-12(13)17/h8-10,14H,1-7H3/t10-,14+/m1/s1
InChIKeyLGAZGQHNFHGLSD-YGRLFVJLSA-N
MW350.36 g/mol
LogP5.49
Rot. Bonds5

About tert-butyl-[(1R,2R)-1-(3,5-dichloro-4-pyridinyl)-1-methoxypropan-2-yl]oxy-dimethylsilane

tert-butyl-[(1R,2R)-1-(3,5-dichloro-4-pyridinyl)-1-methoxypropan-2-yl]oxy-dimethylsilane (PubChem CID 140893776) has the molecular formula C15H25Cl2NO2Si and a molecular weight of 350.36 g/mol. Its IUPAC name is tert-butyl-[(1R,2R)-1-(3,5-dichloro-4-pyridinyl)-1-methoxypropan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2R)-1-(3,5-dichloro-4-pyridinyl)-1-methoxypropan-2-yl]oxy-dimethylsilane
PubChem CID140893776
Molecular FormulaC15H25Cl2NO2Si
Molecular Weight350.36 g/mol
Exact Mass349.10
IUPAC Nametert-butyl-[(1R,2R)-1-(3,5-dichloro-4-pyridinyl)-1-methoxypropan-2-yl]oxy-dimethylsilane
SMILESCO[C@H](c1c(Cl)cncc1Cl)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H25Cl2NO2Si/c1-10(20-21(6,7)15(2,3)4)14(19-5)13-11(16)8-18-9-12(13)17/h8-10,14H,1-7H3/t10-,14+/m1/s1
InChIKeyLGAZGQHNFHGLSD-YGRLFVJLSA-N
XLogP5.49
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.36
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[(1R,2R)-1-(3,5-dichloro-4-pyridinyl)-1-methoxypropan-2-yl]oxy-dimethylsilane with MolForge

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Related Compounds

3,5-dichloro-4-[(1R)-1-methoxyethyl]pyridine
CID 167156090
3,5-dichloro-4-(1-methoxyethyl)pyridine
CID 145231321
tert-butyl-[(1S)-1-methoxyethoxy]-dimethylsilane
CID 153446307
3-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 19432382
2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine
CID 134466244
6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-5-chloropyridin-3-amine
CID 156802926
4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dichlorophenol
CID 66783955
(1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine
CID 130667466
tert-butyl-[(1R,2S)-2-methoxy-1-pyridin-2-ylpropoxy]-dimethylsilane
CID 10516965
3-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dichlorophenyl)methyl]butan-1-ol
CID 19073649
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine
CID 15632284
[2-bromo-1-(2,6-dichlorophenyl)ethoxy]-tert-butyl-dimethylsilane
CID 169498298

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2R)-1-(3,5-dichloro-4-pyridinyl)-1-methoxypropan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2R)-1-(3,5-dichloro-4-pyridinyl)-1-methoxypropan-2-yl]oxy-dimethylsilane (CID 140893776) is tert-butyl-[(1R,2R)-1-(3,5-dichloro-4-pyridinyl)-1-methoxypropan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2R)-1-(3,5-dichloro-4-pyridinyl)-1-methoxypropan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2R)-1-(3,5-dichloro-4-pyridinyl)-1-methoxypropan-2-yl]oxy-dimethylsilane is CO[C@H](c1c(Cl)cncc1Cl)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,2R)-1-(3,5-dichloro-4-pyridinyl)-1-methoxypropan-2-yl]oxy-dimethylsilane?
The InChIKey is LGAZGQHNFHGLSD-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H25Cl2NO2Si/c1-10(20-21(6,7)15(2,3)4)14(19-5)13-11(16)8-18-9-12(13)17/h8-10,14H,1-7H3/t10-,14+/m1/s1.
What are the key properties of tert-butyl-[(1R,2R)-1-(3,5-dichloro-4-pyridinyl)-1-methoxypropan-2-yl]oxy-dimethylsilane?
tert-butyl-[(1R,2R)-1-(3,5-dichloro-4-pyridinyl)-1-methoxypropan-2-yl]oxy-dimethylsilane has a molecular weight of 350.36 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2R)-1-(3,5-dichloro-4-pyridinyl)-1-methoxypropan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 140893776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).