CID 66707141

C12H19BrNOSi — CID 66707141

IUPAC—
SMILESC[Si](C)OC(c1ccc(Br)cn1)C(C)(C)C
InChIInChI=1S/C12H19BrNOSi/c1-12(2,3)11(15-16(4)5)10-7-6-9(13)8-14-10/h6-8,11H,1-5H3
InChIKeyFCRIJKYCVNCESC-UHFFFAOYSA-N
MW301.28 g/mol
LogP4.20
Rot. Bonds3

About CID 66707141

CID 66707141 (PubChem CID 66707141) has the molecular formula C12H19BrNOSi and a molecular weight of 301.28 g/mol.

Molecular Properties

Compound NameCID 66707141
PubChem CID66707141
Molecular FormulaC12H19BrNOSi
Molecular Weight301.28 g/mol
Exact Mass300.04
IUPAC Name—
SMILESC[Si](C)OC(c1ccc(Br)cn1)C(C)(C)C
InChIInChI=1S/C12H19BrNOSi/c1-12(2,3)11(15-16(4)5)10-7-6-9(13)8-14-10/h6-8,11H,1-5H3
InChIKeyFCRIJKYCVNCESC-UHFFFAOYSA-N
XLogP4.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 54.20
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 66707141?
The IUPAC name of CID 66707141 (CID 66707141) is not available.
What is the SMILES notation for CID 66707141?
The canonical SMILES for CID 66707141 is C[Si](C)OC(c1ccc(Br)cn1)C(C)(C)C.
What is the InChIKey of CID 66707141?
The InChIKey is FCRIJKYCVNCESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrNOSi/c1-12(2,3)11(15-16(4)5)10-7-6-9(13)8-14-10/h6-8,11H,1-5H3.
What are the key properties of CID 66707141?
CID 66707141 has a molecular weight of 301.28 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66707141 is sourced from PubChem (CID 66707141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).