tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]silane

C19H39BO2Si — CID 134904097

IUPACtri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]silane
SMILESC/C(=C/C[Si](C(C)C)(C(C)C)C(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H39BO2Si/c1-14(2)23(15(3)4,16(5)6)13-12-17(7)20-21-18(8,9)19(10,11)22-20/h12,14-16H,13H2,1-11H3/b17-12-
InChIKeyVNBVATAXRBKAAL-ATVHPVEESA-N
MW338.42 g/mol
LogP6.24
Rot. Bonds6

About tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]silane

tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]silane (PubChem CID 134904097) has the molecular formula C19H39BO2Si and a molecular weight of 338.42 g/mol. Its IUPAC name is tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]silane
PubChem CID134904097
Molecular FormulaC19H39BO2Si
Molecular Weight338.42 g/mol
Exact Mass338.28
IUPAC Nametri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]silane
SMILESC/C(=C/C[Si](C(C)C)(C(C)C)C(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H39BO2Si/c1-14(2)23(15(3)4,16(5)6)13-12-17(7)20-21-18(8,9)19(10,11)22-20/h12,14-16H,13H2,1-11H3/b17-12-
InChIKeyVNBVATAXRBKAAL-ATVHPVEESA-N
XLogP6.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.42
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]silane?
The IUPAC name of tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]silane (CID 134904097) is tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]silane?
The canonical SMILES for tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]silane is C/C(=C/C[Si](C(C)C)(C(C)C)C(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]silane?
The InChIKey is VNBVATAXRBKAAL-ATVHPVEESA-N. The full InChI is InChI=1S/C19H39BO2Si/c1-14(2)23(15(3)4,16(5)6)13-12-17(7)20-21-18(8,9)19(10,11)22-20/h12,14-16H,13H2,1-11H3/b17-12-.
What are the key properties of tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]silane?
tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]silane has a molecular weight of 338.42 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]silane is sourced from PubChem (CID 134904097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).