trimethyl-[(2R,3R)-1,1,1-trifluoro-2-nitrononan-3-yl]oxysilane

C12H24F3NO3Si — CID 15113678

IUPACtrimethyl-[(2R,3R)-1,1,1-trifluoro-2-nitrononan-3-yl]oxysilane
SMILESCCCCCC[C@@H](O[Si](C)(C)C)[C@@H]([N+](=O)[O-])C(F)(F)F
InChIInChI=1S/C12H24F3NO3Si/c1-5-6-7-8-9-10(19-20(2,3)4)11(16(17)18)12(13,14)15/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyHSJRQGHIANXALN-GHMZBOCLSA-N
MW315.41 g/mol
LogP4.38
Rot. Bonds9

About trimethyl-[(2R,3R)-1,1,1-trifluoro-2-nitrononan-3-yl]oxysilane

trimethyl-[(2R,3R)-1,1,1-trifluoro-2-nitrononan-3-yl]oxysilane (PubChem CID 15113678) has the molecular formula C12H24F3NO3Si and a molecular weight of 315.41 g/mol. Its IUPAC name is trimethyl-[(2R,3R)-1,1,1-trifluoro-2-nitrononan-3-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(2R,3R)-1,1,1-trifluoro-2-nitrononan-3-yl]oxysilane
PubChem CID15113678
Molecular FormulaC12H24F3NO3Si
Molecular Weight315.41 g/mol
Exact Mass315.15
IUPAC Nametrimethyl-[(2R,3R)-1,1,1-trifluoro-2-nitrononan-3-yl]oxysilane
SMILESCCCCCC[C@@H](O[Si](C)(C)C)[C@@H]([N+](=O)[O-])C(F)(F)F
InChIInChI=1S/C12H24F3NO3Si/c1-5-6-7-8-9-10(19-20(2,3)4)11(16(17)18)12(13,14)15/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyHSJRQGHIANXALN-GHMZBOCLSA-N
XLogP4.38
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

methyl 9,10-bis(trimethylsilyloxy)octadecanoate
CID 553462
2-nitropentadecane
CID 87201105
trimethylsilyl (2S,3S)-2-trimethylsilyl-3-trimethylsilyloxydecanoate
CID 101121224
7-nitrohexadecane
CID 87201115
6-nitrododecane
CID 11095997
9-nitrooctadecane
CID 87201118
decan-5-yloxy(trimethyl)silane
CID 553210
undecan-6-yl nitrate
CID 91750842
1-iodoundecoxy(trimethyl)silane
CID 22215334
5-nitrononadecane
CID 167528506
trimethyl-[(E,6S,9R)-9-trimethylsilyloxyoctadec-7-en-6-yl]oxysilane
CID 10025621
trimethyl-[(E,1R,4S)-1-nonyl-4-trimethylsilyloxyundec-2-enoxy]silane
CID 10027087

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2R,3R)-1,1,1-trifluoro-2-nitrononan-3-yl]oxysilane?
The IUPAC name of trimethyl-[(2R,3R)-1,1,1-trifluoro-2-nitrononan-3-yl]oxysilane (CID 15113678) is trimethyl-[(2R,3R)-1,1,1-trifluoro-2-nitrononan-3-yl]oxysilane.
What is the SMILES notation for trimethyl-[(2R,3R)-1,1,1-trifluoro-2-nitrononan-3-yl]oxysilane?
The canonical SMILES for trimethyl-[(2R,3R)-1,1,1-trifluoro-2-nitrononan-3-yl]oxysilane is CCCCCC[C@@H](O[Si](C)(C)C)[C@@H]([N+](=O)[O-])C(F)(F)F.
What is the InChIKey of trimethyl-[(2R,3R)-1,1,1-trifluoro-2-nitrononan-3-yl]oxysilane?
The InChIKey is HSJRQGHIANXALN-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H24F3NO3Si/c1-5-6-7-8-9-10(19-20(2,3)4)11(16(17)18)12(13,14)15/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of trimethyl-[(2R,3R)-1,1,1-trifluoro-2-nitrononan-3-yl]oxysilane?
trimethyl-[(2R,3R)-1,1,1-trifluoro-2-nitrononan-3-yl]oxysilane has a molecular weight of 315.41 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2R,3R)-1,1,1-trifluoro-2-nitrononan-3-yl]oxysilane is sourced from PubChem (CID 15113678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).