(2-bromophenoxy)-tri(propan-2-yl)silane;1,4-dioxane

C19H33BrO3Si — CID 175207696

IUPAC(2-bromophenoxy)-tri(propan-2-yl)silane;1,4-dioxane
SMILESC1COCCO1.CC(C)[Si](Oc1ccccc1Br)(C(C)C)C(C)C
InChIInChI=1S/C15H25BrOSi.C4H8O2/c1-11(2)18(12(3)4,13(5)6)17-15-10-8-7-9-14(15)16;1-2-6-4-3-5-1/h7-13H,1-6H3;1-4H2
InChIKeyUCPRKTKMRAHABK-UHFFFAOYSA-N
MW417.46 g/mol
LogP6.04
Rot. Bonds5

About (2-bromophenoxy)-tri(propan-2-yl)silane;1,4-dioxane

(2-bromophenoxy)-tri(propan-2-yl)silane;1,4-dioxane (PubChem CID 175207696) has the molecular formula C19H33BrO3Si and a molecular weight of 417.46 g/mol. Its IUPAC name is (2-bromophenoxy)-tri(propan-2-yl)silane;1,4-dioxane.

Molecular Properties

Compound Name(2-bromophenoxy)-tri(propan-2-yl)silane;1,4-dioxane
PubChem CID175207696
Molecular FormulaC19H33BrO3Si
Molecular Weight417.46 g/mol
Exact Mass416.14
IUPAC Name(2-bromophenoxy)-tri(propan-2-yl)silane;1,4-dioxane
SMILESC1COCCO1.CC(C)[Si](Oc1ccccc1Br)(C(C)C)C(C)C
InChIInChI=1S/C15H25BrOSi.C4H8O2/c1-11(2)18(12(3)4,13(5)6)17-15-10-8-7-9-14(15)16;1-2-6-4-3-5-1/h7-13H,1-6H3;1-4H2
InChIKeyUCPRKTKMRAHABK-UHFFFAOYSA-N
XLogP6.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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;1,4-dioxane?
The IUPAC name of (2-bromophenoxy)-tri(propan-2-yl)silane;1,4-dioxane (CID 175207696) is (2-bromophenoxy)-tri(propan-2-yl)silane;1,4-dioxane.
What is the SMILES notation for (2-bromophenoxy)-tri(propan-2-yl)silane;1,4-dioxane?
The canonical SMILES for (2-bromophenoxy)-tri(propan-2-yl)silane;1,4-dioxane is C1COCCO1.CC(C)[Si](Oc1ccccc1Br)(C(C)C)C(C)C.
What is the InChIKey of (2-bromophenoxy)-tri(propan-2-yl)silane;1,4-dioxane?
The InChIKey is UCPRKTKMRAHABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrOSi.C4H8O2/c1-11(2)18(12(3)4,13(5)6)17-15-10-8-7-9-14(15)16;1-2-6-4-3-5-1/h7-13H,1-6H3;1-4H2.
What are the key properties of (2-bromophenoxy)-tri(propan-2-yl)silane;1,4-dioxane?
(2-bromophenoxy)-tri(propan-2-yl)silane;1,4-dioxane has a molecular weight of 417.46 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenoxy)-tri(propan-2-yl)silane;1,4-dioxane is sourced from PubChem (CID 175207696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).