(3-bromophenoxy)-trimethylsilane

C9H13BrOSi — CID 615801

IUPAC(3-bromophenoxy)-trimethylsilane
SMILESC[Si](C)(C)Oc1cccc(Br)c1
InChIInChI=1S/C9H13BrOSi/c1-12(2,3)11-9-6-4-5-8(10)7-9/h4-7H,1-3H3
InChIKeyPJAOJOJIEFORFP-UHFFFAOYSA-N
MW245.19 g/mol
LogP3.66
Rot. Bonds2

About (3-bromophenoxy)-trimethylsilane

(3-bromophenoxy)-trimethylsilane (PubChem CID 615801) has the molecular formula C9H13BrOSi and a molecular weight of 245.19 g/mol. Its IUPAC name is (3-bromophenoxy)-trimethylsilane.

Molecular Properties

Compound Name(3-bromophenoxy)-trimethylsilane
PubChem CID615801
Molecular FormulaC9H13BrOSi
Molecular Weight245.19 g/mol
Exact Mass243.99
IUPAC Name(3-bromophenoxy)-trimethylsilane
SMILESC[Si](C)(C)Oc1cccc(Br)c1
InChIInChI=1S/C9H13BrOSi/c1-12(2,3)11-9-6-4-5-8(10)7-9/h4-7H,1-3H3
InChIKeyPJAOJOJIEFORFP-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 53.66
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-bromophenoxy)-trimethylsilane?
The IUPAC name of (3-bromophenoxy)-trimethylsilane (CID 615801) is (3-bromophenoxy)-trimethylsilane.
What is the SMILES notation for (3-bromophenoxy)-trimethylsilane?
The canonical SMILES for (3-bromophenoxy)-trimethylsilane is C[Si](C)(C)Oc1cccc(Br)c1.
What is the InChIKey of (3-bromophenoxy)-trimethylsilane?
The InChIKey is PJAOJOJIEFORFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrOSi/c1-12(2,3)11-9-6-4-5-8(10)7-9/h4-7H,1-3H3.
What are the key properties of (3-bromophenoxy)-trimethylsilane?
(3-bromophenoxy)-trimethylsilane has a molecular weight of 245.19 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenoxy)-trimethylsilane is sourced from PubChem (CID 615801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).