CID 68744229

C13H19Br2OSi — CID 68744229

IUPAC—
SMILESC[Si](C)C(C)(C)COc1ccc(Br)c(CBr)c1
InChIInChI=1S/C13H19Br2OSi/c1-13(2,17(3)4)9-16-11-5-6-12(15)10(7-11)8-14/h5-7H,8-9H2,1-4H3
InChIKeyCBLXQMSYHMQINE-UHFFFAOYSA-N
MW379.19 g/mol
LogP5.26
Rot. Bonds5

About CID 68744229

CID 68744229 (PubChem CID 68744229) has the molecular formula C13H19Br2OSi and a molecular weight of 379.19 g/mol.

Molecular Properties

Compound NameCID 68744229
PubChem CID68744229
Molecular FormulaC13H19Br2OSi
Molecular Weight379.19 g/mol
Exact Mass376.96
IUPAC Name—
SMILESC[Si](C)C(C)(C)COc1ccc(Br)c(CBr)c1
InChIInChI=1S/C13H19Br2OSi/c1-13(2,17(3)4)9-16-11-5-6-12(15)10(7-11)8-14/h5-7H,8-9H2,1-4H3
InChIKeyCBLXQMSYHMQINE-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.19
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 68744229?
The IUPAC name of CID 68744229 (CID 68744229) is not available.
What is the SMILES notation for CID 68744229?
The canonical SMILES for CID 68744229 is C[Si](C)C(C)(C)COc1ccc(Br)c(CBr)c1.
What is the InChIKey of CID 68744229?
The InChIKey is CBLXQMSYHMQINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2OSi/c1-13(2,17(3)4)9-16-11-5-6-12(15)10(7-11)8-14/h5-7H,8-9H2,1-4H3.
What are the key properties of CID 68744229?
CID 68744229 has a molecular weight of 379.19 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68744229 is sourced from PubChem (CID 68744229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).