trimethyl-[(3R)-3-[(1S)-1-nitropent-4-enyl]cyclohexen-1-yl]oxysilane

C14H25NO3Si — CID 11616174

IUPACtrimethyl-[(3R)-3-[(1S)-1-nitropent-4-enyl]cyclohexen-1-yl]oxysilane
SMILESC=CCC[C@@H]([C@H]1C=C(O[Si](C)(C)C)CCC1)[N+](=O)[O-]
InChIInChI=1S/C14H25NO3Si/c1-5-6-10-14(15(16)17)12-8-7-9-13(11-12)18-19(2,3)4/h5,11-12,14H,1,6-10H2,2-4H3/t12-,14+/m1/s1
InChIKeyWXFYLKIDPHTODM-OCCSQVGLSA-N
MW283.44 g/mol
LogP4.13
Rot. Bonds7

About trimethyl-[(3R)-3-[(1S)-1-nitropent-4-enyl]cyclohexen-1-yl]oxysilane

trimethyl-[(3R)-3-[(1S)-1-nitropent-4-enyl]cyclohexen-1-yl]oxysilane (PubChem CID 11616174) has the molecular formula C14H25NO3Si and a molecular weight of 283.44 g/mol. Its IUPAC name is trimethyl-[(3R)-3-[(1S)-1-nitropent-4-enyl]cyclohexen-1-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(3R)-3-[(1S)-1-nitropent-4-enyl]cyclohexen-1-yl]oxysilane
PubChem CID11616174
Molecular FormulaC14H25NO3Si
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Nametrimethyl-[(3R)-3-[(1S)-1-nitropent-4-enyl]cyclohexen-1-yl]oxysilane
SMILESC=CCC[C@@H]([C@H]1C=C(O[Si](C)(C)C)CCC1)[N+](=O)[O-]
InChIInChI=1S/C14H25NO3Si/c1-5-6-10-14(15(16)17)12-8-7-9-13(11-12)18-19(2,3)4/h5,11-12,14H,1,6-10H2,2-4H3/t12-,14+/m1/s1
InChIKeyWXFYLKIDPHTODM-OCCSQVGLSA-N
XLogP4.13
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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)-1-nitropent-4-enyl]cyclohexen-1-yl]oxysilane?
The IUPAC name of trimethyl-[(3R)-3-[(1S)-1-nitropent-4-enyl]cyclohexen-1-yl]oxysilane (CID 11616174) is trimethyl-[(3R)-3-[(1S)-1-nitropent-4-enyl]cyclohexen-1-yl]oxysilane.
What is the SMILES notation for trimethyl-[(3R)-3-[(1S)-1-nitropent-4-enyl]cyclohexen-1-yl]oxysilane?
The canonical SMILES for trimethyl-[(3R)-3-[(1S)-1-nitropent-4-enyl]cyclohexen-1-yl]oxysilane is C=CCC[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-nitropent-4-enyl]cyclohexen-1-yl]oxysilane?
The InChIKey is WXFYLKIDPHTODM-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H25NO3Si/c1-5-6-10-14(15(16)17)12-8-7-9-13(11-12)18-19(2,3)4/h5,11-12,14H,1,6-10H2,2-4H3/t12-,14+/m1/s1.
What are the key properties of trimethyl-[(3R)-3-[(1S)-1-nitropent-4-enyl]cyclohexen-1-yl]oxysilane?
trimethyl-[(3R)-3-[(1S)-1-nitropent-4-enyl]cyclohexen-1-yl]oxysilane has a molecular weight of 283.44 g/mol, XLogP of 4.13, 7 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-nitropent-4-enyl]cyclohexen-1-yl]oxysilane is sourced from PubChem (CID 11616174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).