(2-bromophenoxy)-tri(propan-2-yl)silane

C15H25BrOSi — CID 72945070

IUPAC(2-bromophenoxy)-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1ccccc1Br)(C(C)C)C(C)C
InChIInChI=1S/C15H25BrOSi/c1-11(2)18(12(3)4,13(5)6)17-15-10-8-7-9-14(15)16/h7-13H,1-6H3
InChIKeyDRKVJKKIFDUDIL-UHFFFAOYSA-N
MW329.35 g/mol
LogP6.00
Rot. Bonds5

About (2-bromophenoxy)-tri(propan-2-yl)silane

(2-bromophenoxy)-tri(propan-2-yl)silane (PubChem CID 72945070) has the molecular formula C15H25BrOSi and a molecular weight of 329.35 g/mol. Its IUPAC name is (2-bromophenoxy)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(2-bromophenoxy)-tri(propan-2-yl)silane
PubChem CID72945070
Molecular FormulaC15H25BrOSi
Molecular Weight329.35 g/mol
Exact Mass328.09
IUPAC Name(2-bromophenoxy)-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1ccccc1Br)(C(C)C)C(C)C
InChIInChI=1S/C15H25BrOSi/c1-11(2)18(12(3)4,13(5)6)17-15-10-8-7-9-14(15)16/h7-13H,1-6H3
InChIKeyDRKVJKKIFDUDIL-UHFFFAOYSA-N
XLogP6.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.35
LogP ≤ 56.00
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 (2-bromophenoxy)-tri(propan-2-yl)silane?
The IUPAC name of (2-bromophenoxy)-tri(propan-2-yl)silane (CID 72945070) is (2-bromophenoxy)-tri(propan-2-yl)silane.
What is the SMILES notation for (2-bromophenoxy)-tri(propan-2-yl)silane?
The canonical SMILES for (2-bromophenoxy)-tri(propan-2-yl)silane is CC(C)[Si](Oc1ccccc1Br)(C(C)C)C(C)C.
What is the InChIKey of (2-bromophenoxy)-tri(propan-2-yl)silane?
The InChIKey is DRKVJKKIFDUDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrOSi/c1-11(2)18(12(3)4,13(5)6)17-15-10-8-7-9-14(15)16/h7-13H,1-6H3.
What are the key properties of (2-bromophenoxy)-tri(propan-2-yl)silane?
(2-bromophenoxy)-tri(propan-2-yl)silane has a molecular weight of 329.35 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenoxy)-tri(propan-2-yl)silane is sourced from PubChem (CID 72945070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).