CID 70280066

C13H20BrOSi — CID 70280066

IUPAC—
SMILESC[Si](C)Oc1cc(C(C)(C)C)ccc1CBr
InChIInChI=1S/C13H20BrOSi/c1-13(2,3)11-7-6-10(9-14)12(8-11)15-16(4)5/h6-8H,9H2,1-5H3
InChIKeyXMMUAXKYVYVGSF-UHFFFAOYSA-N
MW300.29 g/mol
LogP4.51
Rot. Bonds3

About CID 70280066

CID 70280066 (PubChem CID 70280066) has the molecular formula C13H20BrOSi and a molecular weight of 300.29 g/mol.

Molecular Properties

Compound NameCID 70280066
PubChem CID70280066
Molecular FormulaC13H20BrOSi
Molecular Weight300.29 g/mol
Exact Mass299.05
IUPAC Name—
SMILESC[Si](C)Oc1cc(C(C)(C)C)ccc1CBr
InChIInChI=1S/C13H20BrOSi/c1-13(2,3)11-7-6-10(9-14)12(8-11)15-16(4)5/h6-8H,9H2,1-5H3
InChIKeyXMMUAXKYVYVGSF-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 54.51
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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Frequently Asked Questions

What is the IUPAC name of CID 70280066?
The IUPAC name of CID 70280066 (CID 70280066) is not available.
What is the SMILES notation for CID 70280066?
The canonical SMILES for CID 70280066 is C[Si](C)Oc1cc(C(C)(C)C)ccc1CBr.
What is the InChIKey of CID 70280066?
The InChIKey is XMMUAXKYVYVGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrOSi/c1-13(2,3)11-7-6-10(9-14)12(8-11)15-16(4)5/h6-8H,9H2,1-5H3.
What are the key properties of CID 70280066?
CID 70280066 has a molecular weight of 300.29 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70280066 is sourced from PubChem (CID 70280066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).