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

C18H37BO2Si — CID 10914326

IUPACtri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]silane
SMILESCC(C)[Si](C/C=C/B1OC(C)(C)C(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C18H37BO2Si/c1-14(2)22(15(3)4,16(5)6)13-11-12-19-20-17(7,8)18(9,10)21-19/h11-12,14-16H,13H2,1-10H3/b12-11+
InChIKeyGXHASGAFUKFEKC-VAWYXSNFSA-N
MW324.39 g/mol
LogP5.85
Rot. Bonds6

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

tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]silane (PubChem CID 10914326) has the molecular formula C18H37BO2Si and a molecular weight of 324.39 g/mol. Its IUPAC name is tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]silane
PubChem CID10914326
Molecular FormulaC18H37BO2Si
Molecular Weight324.39 g/mol
Exact Mass324.27
IUPAC Nametri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]silane
SMILESCC(C)[Si](C/C=C/B1OC(C)(C)C(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C18H37BO2Si/c1-14(2)22(15(3)4,16(5)6)13-11-12-19-20-17(7,8)18(9,10)21-19/h11-12,14-16H,13H2,1-10H3/b12-11+
InChIKeyGXHASGAFUKFEKC-VAWYXSNFSA-N
XLogP5.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.39
LogP ≤ 55.85
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)prop-2-enyl]silane?
The IUPAC name of tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]silane (CID 10914326) is tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-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)prop-2-enyl]silane?
The canonical SMILES for tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]silane is CC(C)[Si](C/C=C/B1OC(C)(C)C(C)(C)O1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]silane?
The InChIKey is GXHASGAFUKFEKC-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H37BO2Si/c1-14(2)22(15(3)4,16(5)6)13-11-12-19-20-17(7,8)18(9,10)21-19/h11-12,14-16H,13H2,1-10H3/b12-11+.
What are the key properties of tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]silane?
tri(propan-2-yl)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]silane has a molecular weight of 324.39 g/mol, XLogP of 5.85, 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)prop-2-enyl]silane is sourced from PubChem (CID 10914326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).