CID 66707390

C12H18BrNOSi — CID 66707390

IUPAC—
SMILESCC(C)(C)[Si]OC(C)(C)c1ccc(Br)cn1
InChIInChI=1S/C12H18BrNOSi/c1-11(2,3)16-15-12(4,5)10-7-6-9(13)8-14-10/h6-8H,1-5H3
InChIKeyWZNXYAGLUUQOCL-UHFFFAOYSA-N
MW300.27 g/mol
LogP3.93
Rot. Bonds3

About CID 66707390

CID 66707390 (PubChem CID 66707390) has the molecular formula C12H18BrNOSi and a molecular weight of 300.27 g/mol.

Molecular Properties

Compound NameCID 66707390
PubChem CID66707390
Molecular FormulaC12H18BrNOSi
Molecular Weight300.27 g/mol
Exact Mass299.03
IUPAC Name—
SMILESCC(C)(C)[Si]OC(C)(C)c1ccc(Br)cn1
InChIInChI=1S/C12H18BrNOSi/c1-11(2,3)16-15-12(4,5)10-7-6-9(13)8-14-10/h6-8H,1-5H3
InChIKeyWZNXYAGLUUQOCL-UHFFFAOYSA-N
XLogP3.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 66707390?
The IUPAC name of CID 66707390 (CID 66707390) is not available.
What is the SMILES notation for CID 66707390?
The canonical SMILES for CID 66707390 is CC(C)(C)[Si]OC(C)(C)c1ccc(Br)cn1.
What is the InChIKey of CID 66707390?
The InChIKey is WZNXYAGLUUQOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOSi/c1-11(2,3)16-15-12(4,5)10-7-6-9(13)8-14-10/h6-8H,1-5H3.
What are the key properties of CID 66707390?
CID 66707390 has a molecular weight of 300.27 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66707390 is sourced from PubChem (CID 66707390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).