trimethyl-[(3R)-3-[(1S)-1-nitroethyl]cyclohexen-1-yl]oxysilane

C11H21NO3Si — CID 101381095

IUPACtrimethyl-[(3R)-3-[(1S)-1-nitroethyl]cyclohexen-1-yl]oxysilane
SMILESC[C@@H]([C@H]1C=C(O[Si](C)(C)C)CCC1)[N+](=O)[O-]
InChIInChI=1S/C11H21NO3Si/c1-9(12(13)14)10-6-5-7-11(8-10)15-16(2,3)4/h8-10H,5-7H2,1-4H3/t9-,10+/m0/s1
InChIKeyUTGDXDYRMSPODJ-VHSXEESVSA-N
MW243.38 g/mol
LogP3.19
Rot. Bonds4

About trimethyl-[(3R)-3-[(1S)-1-nitroethyl]cyclohexen-1-yl]oxysilane

trimethyl-[(3R)-3-[(1S)-1-nitroethyl]cyclohexen-1-yl]oxysilane (PubChem CID 101381095) has the molecular formula C11H21NO3Si and a molecular weight of 243.38 g/mol. Its IUPAC name is trimethyl-[(3R)-3-[(1S)-1-nitroethyl]cyclohexen-1-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(3R)-3-[(1S)-1-nitroethyl]cyclohexen-1-yl]oxysilane
PubChem CID101381095
Molecular FormulaC11H21NO3Si
Molecular Weight243.38 g/mol
Exact Mass243.13
IUPAC Nametrimethyl-[(3R)-3-[(1S)-1-nitroethyl]cyclohexen-1-yl]oxysilane
SMILESC[C@@H]([C@H]1C=C(O[Si](C)(C)C)CCC1)[N+](=O)[O-]
InChIInChI=1S/C11H21NO3Si/c1-9(12(13)14)10-6-5-7-11(8-10)15-16(2,3)4/h8-10H,5-7H2,1-4H3/t9-,10+/m0/s1
InChIKeyUTGDXDYRMSPODJ-VHSXEESVSA-N
XLogP3.19
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.19
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'}

Analyze trimethyl-[(3R)-3-[(1S)-1-nitroethyl]cyclohexen-1-yl]oxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3R)-3-[(1S)-1-nitroethyl]cyclohexen-1-yl]oxysilane?
The IUPAC name of trimethyl-[(3R)-3-[(1S)-1-nitroethyl]cyclohexen-1-yl]oxysilane (CID 101381095) is trimethyl-[(3R)-3-[(1S)-1-nitroethyl]cyclohexen-1-yl]oxysilane.
What is the SMILES notation for trimethyl-[(3R)-3-[(1S)-1-nitroethyl]cyclohexen-1-yl]oxysilane?
The canonical SMILES for trimethyl-[(3R)-3-[(1S)-1-nitroethyl]cyclohexen-1-yl]oxysilane is 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)-1-nitroethyl]cyclohexen-1-yl]oxysilane?
The InChIKey is UTGDXDYRMSPODJ-VHSXEESVSA-N. The full InChI is InChI=1S/C11H21NO3Si/c1-9(12(13)14)10-6-5-7-11(8-10)15-16(2,3)4/h8-10H,5-7H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of trimethyl-[(3R)-3-[(1S)-1-nitroethyl]cyclohexen-1-yl]oxysilane?
trimethyl-[(3R)-3-[(1S)-1-nitroethyl]cyclohexen-1-yl]oxysilane has a molecular weight of 243.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3R)-3-[(1S)-1-nitroethyl]cyclohexen-1-yl]oxysilane is sourced from PubChem (CID 101381095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).