CID 58098371

C11H23BrSi2 — CID 58098371

IUPAC—
SMILESC=CC[Si](C)(C)CCC[Si]CCCBr
InChIInChI=1S/C11H23BrSi2/c1-4-10-14(2,3)11-6-9-13-8-5-7-12/h4H,1,5-11H2,2-3H3
InChIKeyZRSJQOVKPMXCTK-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.60
Rot. Bonds9

About CID 58098371

CID 58098371 (PubChem CID 58098371) has the molecular formula C11H23BrSi2 and a molecular weight of 291.38 g/mol.

Molecular Properties

Compound NameCID 58098371
PubChem CID58098371
Molecular FormulaC11H23BrSi2
Molecular Weight291.38 g/mol
Exact Mass290.05
IUPAC Name—
SMILESC=CC[Si](C)(C)CCC[Si]CCCBr
InChIInChI=1S/C11H23BrSi2/c1-4-10-14(2,3)11-6-9-13-8-5-7-12/h4H,1,5-11H2,2-3H3
InChIKeyZRSJQOVKPMXCTK-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58098371?
The IUPAC name of CID 58098371 (CID 58098371) is not available.
What is the SMILES notation for CID 58098371?
The canonical SMILES for CID 58098371 is C=CC[Si](C)(C)CCC[Si]CCCBr.
What is the InChIKey of CID 58098371?
The InChIKey is ZRSJQOVKPMXCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrSi2/c1-4-10-14(2,3)11-6-9-13-8-5-7-12/h4H,1,5-11H2,2-3H3.
What are the key properties of CID 58098371?
CID 58098371 has a molecular weight of 291.38 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58098371 is sourced from PubChem (CID 58098371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).