1,3,2-dioxaborinan-2-yloxy-dimethyl-phenylsilane

C11H17BO3Si — CID 102520366

IUPAC1,3,2-dioxaborinan-2-yloxy-dimethyl-phenylsilane
SMILESC[Si](C)(OB1OCCCO1)c1ccccc1
InChIInChI=1S/C11H17BO3Si/c1-16(2,11-7-4-3-5-8-11)15-12-13-9-6-10-14-12/h3-5,7-8H,6,9-10H2,1-2H3
InChIKeyGJUBHXYJMWCYDC-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.54
Rot. Bonds3

About 1,3,2-dioxaborinan-2-yloxy-dimethyl-phenylsilane

1,3,2-dioxaborinan-2-yloxy-dimethyl-phenylsilane (PubChem CID 102520366) has the molecular formula C11H17BO3Si and a molecular weight of 236.15 g/mol. Its IUPAC name is 1,3,2-dioxaborinan-2-yloxy-dimethyl-phenylsilane.

Molecular Properties

Compound Name1,3,2-dioxaborinan-2-yloxy-dimethyl-phenylsilane
PubChem CID102520366
Molecular FormulaC11H17BO3Si
Molecular Weight236.15 g/mol
Exact Mass236.10
IUPAC Name1,3,2-dioxaborinan-2-yloxy-dimethyl-phenylsilane
SMILESC[Si](C)(OB1OCCCO1)c1ccccc1
InChIInChI=1S/C11H17BO3Si/c1-16(2,11-7-4-3-5-8-11)15-12-13-9-6-10-14-12/h3-5,7-8H,6,9-10H2,1-2H3
InChIKeyGJUBHXYJMWCYDC-UHFFFAOYSA-N
XLogP1.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.54
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 1,3,2-dioxaborinan-2-yloxy-dimethyl-phenylsilane?
The IUPAC name of 1,3,2-dioxaborinan-2-yloxy-dimethyl-phenylsilane (CID 102520366) is 1,3,2-dioxaborinan-2-yloxy-dimethyl-phenylsilane.
What is the SMILES notation for 1,3,2-dioxaborinan-2-yloxy-dimethyl-phenylsilane?
The canonical SMILES for 1,3,2-dioxaborinan-2-yloxy-dimethyl-phenylsilane is C[Si](C)(OB1OCCCO1)c1ccccc1.
What is the InChIKey of 1,3,2-dioxaborinan-2-yloxy-dimethyl-phenylsilane?
The InChIKey is GJUBHXYJMWCYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BO3Si/c1-16(2,11-7-4-3-5-8-11)15-12-13-9-6-10-14-12/h3-5,7-8H,6,9-10H2,1-2H3.
What are the key properties of 1,3,2-dioxaborinan-2-yloxy-dimethyl-phenylsilane?
1,3,2-dioxaborinan-2-yloxy-dimethyl-phenylsilane has a molecular weight of 236.15 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,2-dioxaborinan-2-yloxy-dimethyl-phenylsilane is sourced from PubChem (CID 102520366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).