CID 143700845

C17H17BrSi- — CID 143700845

IUPAC—
SMILESC[Si-](C)(C)c1cccc(C#Cc2cccc(Br)c2)c1
InChIInChI=1S/C17H17BrSi/c1-19(2,3)17-9-5-7-15(13-17)11-10-14-6-4-8-16(18)12-14/h4-9,12-13H,1-3H3/q-1
InChIKeyVWTISLAEYSEFPL-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.39
Rot. Bonds1

About CID 143700845

CID 143700845 (PubChem CID 143700845) has the molecular formula C17H17BrSi- and a molecular weight of 329.31 g/mol.

Molecular Properties

Compound NameCID 143700845
PubChem CID143700845
Molecular FormulaC17H17BrSi-
Molecular Weight329.31 g/mol
Exact Mass328.03
IUPAC Name—
SMILESC[Si-](C)(C)c1cccc(C#Cc2cccc(Br)c2)c1
InChIInChI=1S/C17H17BrSi/c1-19(2,3)17-9-5-7-15(13-17)11-10-14-6-4-8-16(18)12-14/h4-9,12-13H,1-3H3/q-1
InChIKeyVWTISLAEYSEFPL-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 143700845?
The IUPAC name of CID 143700845 (CID 143700845) is not available.
What is the SMILES notation for CID 143700845?
The canonical SMILES for CID 143700845 is C[Si-](C)(C)c1cccc(C#Cc2cccc(Br)c2)c1.
What is the InChIKey of CID 143700845?
The InChIKey is VWTISLAEYSEFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrSi/c1-19(2,3)17-9-5-7-15(13-17)11-10-14-6-4-8-16(18)12-14/h4-9,12-13H,1-3H3/q-1.
What are the key properties of CID 143700845?
CID 143700845 has a molecular weight of 329.31 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143700845 is sourced from PubChem (CID 143700845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).