CID 134873841

C21H31NO2Si+ — CID 134873841

IUPAC—
SMILESCC/C(=C(/O)[N+]1[CH][CH][CH][C]1CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C21H31NO2Si/c1-7-19(17-12-9-8-10-13-17)20(23)22-15-11-14-18(22)16-24-25(5,6)21(2,3)4/h8-15,23H,7,16H2,1-6H3/q+1/b20-19-
InChIKeyVRRSPRGJFYEMTL-VXPUYCOJSA-N
MW357.57 g/mol
LogP5.60
Rot. Bonds6

About CID 134873841

CID 134873841 (PubChem CID 134873841) has the molecular formula C21H31NO2Si+ and a molecular weight of 357.57 g/mol.

Molecular Properties

Compound NameCID 134873841
PubChem CID134873841
Molecular FormulaC21H31NO2Si+
Molecular Weight357.57 g/mol
Exact Mass357.21
IUPAC Name—
SMILESCC/C(=C(/O)[N+]1[CH][CH][CH][C]1CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C21H31NO2Si/c1-7-19(17-12-9-8-10-13-17)20(23)22-15-11-14-18(22)16-24-25(5,6)21(2,3)4/h8-15,23H,7,16H2,1-6H3/q+1/b20-19-
InChIKeyVRRSPRGJFYEMTL-VXPUYCOJSA-N
XLogP5.60
TPSA35.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.57
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134873841?
The IUPAC name of CID 134873841 (CID 134873841) is not available.
What is the SMILES notation for CID 134873841?
The canonical SMILES for CID 134873841 is CC/C(=C(/O)[N+]1[CH][CH][CH][C]1CO[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of CID 134873841?
The InChIKey is VRRSPRGJFYEMTL-VXPUYCOJSA-N. The full InChI is InChI=1S/C21H31NO2Si/c1-7-19(17-12-9-8-10-13-17)20(23)22-15-11-14-18(22)16-24-25(5,6)21(2,3)4/h8-15,23H,7,16H2,1-6H3/q+1/b20-19-.
What are the key properties of CID 134873841?
CID 134873841 has a molecular weight of 357.57 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134873841 is sourced from PubChem (CID 134873841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).