CID 174486057

C12H12BrOSi — CID 174486057

IUPAC—
SMILESC[Si](C)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C12H12BrOSi/c1-15(2)14-12-6-4-9-7-11(13)5-3-10(9)8-12/h3-8H,1-2H3
InChIKeyNGGFUZNYDZCTIH-UHFFFAOYSA-N
MW280.22 g/mol
LogP4.23
Rot. Bonds2

About CID 174486057

CID 174486057 (PubChem CID 174486057) has the molecular formula C12H12BrOSi and a molecular weight of 280.22 g/mol.

Molecular Properties

Compound NameCID 174486057
PubChem CID174486057
Molecular FormulaC12H12BrOSi
Molecular Weight280.22 g/mol
Exact Mass278.98
IUPAC Name—
SMILESC[Si](C)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C12H12BrOSi/c1-15(2)14-12-6-4-9-7-11(13)5-3-10(9)8-12/h3-8H,1-2H3
InChIKeyNGGFUZNYDZCTIH-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 174486057?
The IUPAC name of CID 174486057 (CID 174486057) is not available.
What is the SMILES notation for CID 174486057?
The canonical SMILES for CID 174486057 is C[Si](C)Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of CID 174486057?
The InChIKey is NGGFUZNYDZCTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrOSi/c1-15(2)14-12-6-4-9-7-11(13)5-3-10(9)8-12/h3-8H,1-2H3.
What are the key properties of CID 174486057?
CID 174486057 has a molecular weight of 280.22 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174486057 is sourced from PubChem (CID 174486057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).