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

C19H41BO3Si — CID 132550023

IUPACtri(propan-2-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
SMILESCC(C)[Si](OCCCCB1OC(C)(C)C(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C19H41BO3Si/c1-15(2)24(16(3)4,17(5)6)21-14-12-11-13-20-22-18(7,8)19(9,10)23-20/h15-17H,11-14H2,1-10H3
InChIKeyQRJHJACJGBDOJP-UHFFFAOYSA-N
MW356.43 g/mol
LogP6.05
Rot. Bonds9

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

tri(propan-2-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane (PubChem CID 132550023) has the molecular formula C19H41BO3Si and a molecular weight of 356.43 g/mol. Its IUPAC name is tri(propan-2-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
PubChem CID132550023
Molecular FormulaC19H41BO3Si
Molecular Weight356.43 g/mol
Exact Mass356.29
IUPAC Nametri(propan-2-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
SMILESCC(C)[Si](OCCCCB1OC(C)(C)C(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C19H41BO3Si/c1-15(2)24(16(3)4,17(5)6)21-14-12-11-13-20-22-18(7,8)19(9,10)23-20/h15-17H,11-14H2,1-10H3
InChIKeyQRJHJACJGBDOJP-UHFFFAOYSA-N
XLogP6.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?
The IUPAC name of tri(propan-2-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane (CID 132550023) is tri(propan-2-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane is CC(C)[Si](OCCCCB1OC(C)(C)C(C)(C)O1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?
The InChIKey is QRJHJACJGBDOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41BO3Si/c1-15(2)24(16(3)4,17(5)6)21-14-12-11-13-20-22-18(7,8)19(9,10)23-20/h15-17H,11-14H2,1-10H3.
What are the key properties of tri(propan-2-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?
tri(propan-2-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane has a molecular weight of 356.43 g/mol, XLogP of 6.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane is sourced from PubChem (CID 132550023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).