(3-bromo-2-methylphenoxy)-trimethylsilane

C10H15BrOSi — CID 167729403

IUPAC(3-bromo-2-methylphenoxy)-trimethylsilane
SMILESCc1c(Br)cccc1O[Si](C)(C)C
InChIInChI=1S/C10H15BrOSi/c1-8-9(11)6-5-7-10(8)12-13(2,3)4/h5-7H,1-4H3
InChIKeyGEJMNCRQXBABBO-UHFFFAOYSA-N
MW259.22 g/mol
LogP3.97
Rot. Bonds2

About (3-bromo-2-methylphenoxy)-trimethylsilane

(3-bromo-2-methylphenoxy)-trimethylsilane (PubChem CID 167729403) has the molecular formula C10H15BrOSi and a molecular weight of 259.22 g/mol. Its IUPAC name is (3-bromo-2-methylphenoxy)-trimethylsilane.

Molecular Properties

Compound Name(3-bromo-2-methylphenoxy)-trimethylsilane
PubChem CID167729403
Molecular FormulaC10H15BrOSi
Molecular Weight259.22 g/mol
Exact Mass258.01
IUPAC Name(3-bromo-2-methylphenoxy)-trimethylsilane
SMILESCc1c(Br)cccc1O[Si](C)(C)C
InChIInChI=1S/C10H15BrOSi/c1-8-9(11)6-5-7-10(8)12-13(2,3)4/h5-7H,1-4H3
InChIKeyGEJMNCRQXBABBO-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 53.97
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 (3-bromo-2-methylphenoxy)-trimethylsilane?
The IUPAC name of (3-bromo-2-methylphenoxy)-trimethylsilane (CID 167729403) is (3-bromo-2-methylphenoxy)-trimethylsilane.
What is the SMILES notation for (3-bromo-2-methylphenoxy)-trimethylsilane?
The canonical SMILES for (3-bromo-2-methylphenoxy)-trimethylsilane is Cc1c(Br)cccc1O[Si](C)(C)C.
What is the InChIKey of (3-bromo-2-methylphenoxy)-trimethylsilane?
The InChIKey is GEJMNCRQXBABBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrOSi/c1-8-9(11)6-5-7-10(8)12-13(2,3)4/h5-7H,1-4H3.
What are the key properties of (3-bromo-2-methylphenoxy)-trimethylsilane?
(3-bromo-2-methylphenoxy)-trimethylsilane has a molecular weight of 259.22 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methylphenoxy)-trimethylsilane is sourced from PubChem (CID 167729403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).