trimethyl-[(3R)-3-[(1S)-2-methyl-1-nitropropyl]cyclohexen-1-yl]oxysilane

C13H25NO3Si — CID 101381096

IUPACtrimethyl-[(3R)-3-[(1S)-2-methyl-1-nitropropyl]cyclohexen-1-yl]oxysilane
SMILESCC(C)[C@@H]([C@H]1C=C(O[Si](C)(C)C)CCC1)[N+](=O)[O-]
InChIInChI=1S/C13H25NO3Si/c1-10(2)13(14(15)16)11-7-6-8-12(9-11)17-18(3,4)5/h9-11,13H,6-8H2,1-5H3/t11-,13+/m1/s1
InChIKeyYCLXTWQMWFMMPK-YPMHNXCESA-N
MW271.43 g/mol
LogP3.82
Rot. Bonds5

About trimethyl-[(3R)-3-[(1S)-2-methyl-1-nitropropyl]cyclohexen-1-yl]oxysilane

trimethyl-[(3R)-3-[(1S)-2-methyl-1-nitropropyl]cyclohexen-1-yl]oxysilane (PubChem CID 101381096) has the molecular formula C13H25NO3Si and a molecular weight of 271.43 g/mol. Its IUPAC name is trimethyl-[(3R)-3-[(1S)-2-methyl-1-nitropropyl]cyclohexen-1-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(3R)-3-[(1S)-2-methyl-1-nitropropyl]cyclohexen-1-yl]oxysilane
PubChem CID101381096
Molecular FormulaC13H25NO3Si
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Nametrimethyl-[(3R)-3-[(1S)-2-methyl-1-nitropropyl]cyclohexen-1-yl]oxysilane
SMILESCC(C)[C@@H]([C@H]1C=C(O[Si](C)(C)C)CCC1)[N+](=O)[O-]
InChIInChI=1S/C13H25NO3Si/c1-10(2)13(14(15)16)11-7-6-8-12(9-11)17-18(3,4)5/h9-11,13H,6-8H2,1-5H3/t11-,13+/m1/s1
InChIKeyYCLXTWQMWFMMPK-YPMHNXCESA-N
XLogP3.82
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.82
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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3R)-3-[(1S)-2-methyl-1-nitropropyl]cyclohexen-1-yl]oxysilane?
The IUPAC name of trimethyl-[(3R)-3-[(1S)-2-methyl-1-nitropropyl]cyclohexen-1-yl]oxysilane (CID 101381096) is trimethyl-[(3R)-3-[(1S)-2-methyl-1-nitropropyl]cyclohexen-1-yl]oxysilane.
What is the SMILES notation for trimethyl-[(3R)-3-[(1S)-2-methyl-1-nitropropyl]cyclohexen-1-yl]oxysilane?
The canonical SMILES for trimethyl-[(3R)-3-[(1S)-2-methyl-1-nitropropyl]cyclohexen-1-yl]oxysilane is CC(C)[C@@H]([C@H]1C=C(O[Si](C)(C)C)CCC1)[N+](=O)[O-].
What is the InChIKey of trimethyl-[(3R)-3-[(1S)-2-methyl-1-nitropropyl]cyclohexen-1-yl]oxysilane?
The InChIKey is YCLXTWQMWFMMPK-YPMHNXCESA-N. The full InChI is InChI=1S/C13H25NO3Si/c1-10(2)13(14(15)16)11-7-6-8-12(9-11)17-18(3,4)5/h9-11,13H,6-8H2,1-5H3/t11-,13+/m1/s1.
What are the key properties of trimethyl-[(3R)-3-[(1S)-2-methyl-1-nitropropyl]cyclohexen-1-yl]oxysilane?
trimethyl-[(3R)-3-[(1S)-2-methyl-1-nitropropyl]cyclohexen-1-yl]oxysilane has a molecular weight of 271.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3R)-3-[(1S)-2-methyl-1-nitropropyl]cyclohexen-1-yl]oxysilane is sourced from PubChem (CID 101381096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).