(2S,3R)-4-nitro-2,3-diphenyl-1-trimethylsilylbutan-1-one

C19H23NO3Si — CID 71546472

IUPAC(2S,3R)-4-nitro-2,3-diphenyl-1-trimethylsilylbutan-1-one
SMILESC[Si](C)(C)C(=O)[C@H](c1ccccc1)[C@@H](C[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C19H23NO3Si/c1-24(2,3)19(21)18(16-12-8-5-9-13-16)17(14-20(22)23)15-10-6-4-7-11-15/h4-13,17-18H,14H2,1-3H3/t17-,18+/m0/s1
InChIKeyMQEYPAYWWWGPKE-ZWKOTPCHSA-N
MW341.48 g/mol
LogP4.28
Rot. Bonds7

About (2S,3R)-4-nitro-2,3-diphenyl-1-trimethylsilylbutan-1-one

(2S,3R)-4-nitro-2,3-diphenyl-1-trimethylsilylbutan-1-one (PubChem CID 71546472) has the molecular formula C19H23NO3Si and a molecular weight of 341.48 g/mol. Its IUPAC name is (2S,3R)-4-nitro-2,3-diphenyl-1-trimethylsilylbutan-1-one.

Molecular Properties

Compound Name(2S,3R)-4-nitro-2,3-diphenyl-1-trimethylsilylbutan-1-one
PubChem CID71546472
Molecular FormulaC19H23NO3Si
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name(2S,3R)-4-nitro-2,3-diphenyl-1-trimethylsilylbutan-1-one
SMILESC[Si](C)(C)C(=O)[C@H](c1ccccc1)[C@@H](C[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C19H23NO3Si/c1-24(2,3)19(21)18(16-12-8-5-9-13-16)17(14-20(22)23)15-10-6-4-7-11-15/h4-13,17-18H,14H2,1-3H3/t17-,18+/m0/s1
InChIKeyMQEYPAYWWWGPKE-ZWKOTPCHSA-N
XLogP4.28
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-3-(3-chlorophenyl)-1-[dimethyl(phenyl)silyl]-4-nitro-2-phenylbutan-1-one
CID 71546621
(3S,4S)-3-hydroxy-5-nitro-4-phenylpentan-2-one
CID 11858941
(2S,3S)-4-nitro-3-phenyl-2-sulfanylbutanoic acid
CID 102475512
(2R,3S)-2-(4-methoxyphenyl)-N-methyl-4-nitro-3-phenylbutanamide
CID 102496979
ditert-butyl 2-[(1R)-2-nitro-1-phenylethyl]propanedioate
CID 101370925
(2S,3S)-1-(furan-2-yl)-2-hydroxy-4-nitro-3-phenylbutan-1-one
CID 15953689
(2S,3R)-2,3-bis(3,4-dimethoxyphenyl)-1-[dimethyl(phenyl)silyl]-4-nitrobutan-1-one
CID 71544646
methyl (3R,4S)-4-(4-methoxyphenyl)-5-nitro-3-phenylpentanoate
CID 102173330
2-ethoxycarbonyl-4-nitro-3-phenylbutanoate
CID 23070417
(2R,3R)-1-nitro-3-phenylbutan-2-ol
CID 102161516
methyl (3R,4S)-4-(4-fluorophenyl)-5-nitro-3-phenylpentanoate
CID 44604177
(2-nitro-1-phenylethyl)benzene
CID 11521460

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-nitro-2,3-diphenyl-1-trimethylsilylbutan-1-one?
The IUPAC name of (2S,3R)-4-nitro-2,3-diphenyl-1-trimethylsilylbutan-1-one (CID 71546472) is (2S,3R)-4-nitro-2,3-diphenyl-1-trimethylsilylbutan-1-one.
What is the SMILES notation for (2S,3R)-4-nitro-2,3-diphenyl-1-trimethylsilylbutan-1-one?
The canonical SMILES for (2S,3R)-4-nitro-2,3-diphenyl-1-trimethylsilylbutan-1-one is C[Si](C)(C)C(=O)[C@H](c1ccccc1)[C@@H](C[N+](=O)[O-])c1ccccc1.
What is the InChIKey of (2S,3R)-4-nitro-2,3-diphenyl-1-trimethylsilylbutan-1-one?
The InChIKey is MQEYPAYWWWGPKE-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H23NO3Si/c1-24(2,3)19(21)18(16-12-8-5-9-13-16)17(14-20(22)23)15-10-6-4-7-11-15/h4-13,17-18H,14H2,1-3H3/t17-,18+/m0/s1.
What are the key properties of (2S,3R)-4-nitro-2,3-diphenyl-1-trimethylsilylbutan-1-one?
(2S,3R)-4-nitro-2,3-diphenyl-1-trimethylsilylbutan-1-one has a molecular weight of 341.48 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-nitro-2,3-diphenyl-1-trimethylsilylbutan-1-one is sourced from PubChem (CID 71546472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).