CID 19826521

C20H32BrOSi — CID 19826521

IUPAC—
SMILESC[Si](C)C(C)(C)COC1CC(C)(C)c2cc(Br)ccc2C1(C)C
InChIInChI=1S/C20H32BrOSi/c1-18(2)12-17(22-13-19(3,4)23(7)8)20(5,6)15-10-9-14(21)11-16(15)18/h9-11,17H,12-13H2,1-8H3
InChIKeyDFPXQNOOSNUDHG-UHFFFAOYSA-N
MW396.47 g/mol
LogP6.33
Rot. Bonds4

About CID 19826521

CID 19826521 (PubChem CID 19826521) has the molecular formula C20H32BrOSi and a molecular weight of 396.47 g/mol.

Molecular Properties

Compound NameCID 19826521
PubChem CID19826521
Molecular FormulaC20H32BrOSi
Molecular Weight396.47 g/mol
Exact Mass395.14
IUPAC Name—
SMILESC[Si](C)C(C)(C)COC1CC(C)(C)c2cc(Br)ccc2C1(C)C
InChIInChI=1S/C20H32BrOSi/c1-18(2)12-17(22-13-19(3,4)23(7)8)20(5,6)15-10-9-14(21)11-16(15)18/h9-11,17H,12-13H2,1-8H3
InChIKeyDFPXQNOOSNUDHG-UHFFFAOYSA-N
XLogP6.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.47
LogP ≤ 56.33
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 19826521?
The IUPAC name of CID 19826521 (CID 19826521) is not available.
What is the SMILES notation for CID 19826521?
The canonical SMILES for CID 19826521 is C[Si](C)C(C)(C)COC1CC(C)(C)c2cc(Br)ccc2C1(C)C.
What is the InChIKey of CID 19826521?
The InChIKey is DFPXQNOOSNUDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32BrOSi/c1-18(2)12-17(22-13-19(3,4)23(7)8)20(5,6)15-10-9-14(21)11-16(15)18/h9-11,17H,12-13H2,1-8H3.
What are the key properties of CID 19826521?
CID 19826521 has a molecular weight of 396.47 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19826521 is sourced from PubChem (CID 19826521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).