tert-butyl-dimethyl-[(E,2S)-4-nitropent-3-en-2-yl]oxysilane

C11H23NO3Si — CID 102418289

IUPACtert-butyl-dimethyl-[(E,2S)-4-nitropent-3-en-2-yl]oxysilane
SMILESC/C(=C\[C@H](C)O[Si](C)(C)C(C)(C)C)[N+](=O)[O-]
InChIInChI=1S/C11H23NO3Si/c1-9(12(13)14)8-10(2)15-16(6,7)11(3,4)5/h8,10H,1-7H3/b9-8+/t10-/m0/s1
InChIKeyCJHIJYJISYYUPO-DDXVTDLHSA-N
MW245.39 g/mol
LogP3.58
Rot. Bonds4

About tert-butyl-dimethyl-[(E,2S)-4-nitropent-3-en-2-yl]oxysilane

tert-butyl-dimethyl-[(E,2S)-4-nitropent-3-en-2-yl]oxysilane (PubChem CID 102418289) has the molecular formula C11H23NO3Si and a molecular weight of 245.39 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,2S)-4-nitropent-3-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,2S)-4-nitropent-3-en-2-yl]oxysilane
PubChem CID102418289
Molecular FormulaC11H23NO3Si
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Nametert-butyl-dimethyl-[(E,2S)-4-nitropent-3-en-2-yl]oxysilane
SMILESC/C(=C\[C@H](C)O[Si](C)(C)C(C)(C)C)[N+](=O)[O-]
InChIInChI=1S/C11H23NO3Si/c1-9(12(13)14)8-10(2)15-16(6,7)11(3,4)5/h8,10H,1-7H3/b9-8+/t10-/m0/s1
InChIKeyCJHIJYJISYYUPO-DDXVTDLHSA-N
XLogP3.58
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.58
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

(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-2-one
CID 42643391
(E,2S,7R)-2-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethylnon-3-en-5-one
CID 102009679
(E,2S,7R)-2-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,9-dimethyldec-3-en-5-one
CID 102009682
(6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-nitroheptan-2-one
CID 11833115
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol
CID 10634072
(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine
CID 11747325
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
tert-butyl-dimethyl-(3-methylbut-3-en-2-yloxy)silane
CID 15935934
(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol
CID 122371218
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one
CID 553195

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,2S)-4-nitropent-3-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E,2S)-4-nitropent-3-en-2-yl]oxysilane (CID 102418289) is tert-butyl-dimethyl-[(E,2S)-4-nitropent-3-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,2S)-4-nitropent-3-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E,2S)-4-nitropent-3-en-2-yl]oxysilane is C/C(=C\[C@H](C)O[Si](C)(C)C(C)(C)C)[N+](=O)[O-].
What is the InChIKey of tert-butyl-dimethyl-[(E,2S)-4-nitropent-3-en-2-yl]oxysilane?
The InChIKey is CJHIJYJISYYUPO-DDXVTDLHSA-N. The full InChI is InChI=1S/C11H23NO3Si/c1-9(12(13)14)8-10(2)15-16(6,7)11(3,4)5/h8,10H,1-7H3/b9-8+/t10-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(E,2S)-4-nitropent-3-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(E,2S)-4-nitropent-3-en-2-yl]oxysilane has a molecular weight of 245.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,2S)-4-nitropent-3-en-2-yl]oxysilane is sourced from PubChem (CID 102418289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).