trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-ynyl]silane

C14H25BO2Si — CID 11139984

IUPACtrimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-ynyl]silane
SMILESC=C(CC#C[Si](C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H25BO2Si/c1-12(10-9-11-18(6,7)8)15-16-13(2,3)14(4,5)17-15/h1,10H2,2-8H3
InChIKeyFUSJEOBOMUPPOX-UHFFFAOYSA-N
MW264.25 g/mol
LogP3.44
Rot. Bonds2

About trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-ynyl]silane

trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-ynyl]silane (PubChem CID 11139984) has the molecular formula C14H25BO2Si and a molecular weight of 264.25 g/mol. Its IUPAC name is trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-ynyl]silane
PubChem CID11139984
Molecular FormulaC14H25BO2Si
Molecular Weight264.25 g/mol
Exact Mass264.17
IUPAC Nametrimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-ynyl]silane
SMILESC=C(CC#C[Si](C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H25BO2Si/c1-12(10-9-11-18(6,7)8)15-16-13(2,3)14(4,5)17-15/h1,10H2,2-8H3
InChIKeyFUSJEOBOMUPPOX-UHFFFAOYSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-ynyl]silane?
The IUPAC name of trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-ynyl]silane (CID 11139984) is trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-ynyl]silane.
What is the SMILES notation for trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-ynyl]silane?
The canonical SMILES for trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-ynyl]silane is C=C(CC#C[Si](C)(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-ynyl]silane?
The InChIKey is FUSJEOBOMUPPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BO2Si/c1-12(10-9-11-18(6,7)8)15-16-13(2,3)14(4,5)17-15/h1,10H2,2-8H3.
What are the key properties of trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-ynyl]silane?
trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-ynyl]silane has a molecular weight of 264.25 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-ynyl]silane is sourced from PubChem (CID 11139984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).