tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane

C17H35BO3Si — CID 101350027

IUPACtert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane
SMILESC=C(CCCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H35BO3Si/c1-14(18-20-16(5,6)17(7,8)21-18)12-11-13-19-22(9,10)15(2,3)4/h1,11-13H2,2-10H3
InChIKeyZYUMWALPVFIXLW-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.98
Rot. Bonds6

About tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane

tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane (PubChem CID 101350027) has the molecular formula C17H35BO3Si and a molecular weight of 326.36 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane
PubChem CID101350027
Molecular FormulaC17H35BO3Si
Molecular Weight326.36 g/mol
Exact Mass326.24
IUPAC Nametert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane
SMILESC=C(CCCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H35BO3Si/c1-14(18-20-16(5,6)17(7,8)21-18)12-11-13-19-22(9,10)15(2,3)4/h1,11-13H2,2-10H3
InChIKeyZYUMWALPVFIXLW-UHFFFAOYSA-N
XLogP4.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.98
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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Related Compounds

(E)-tert-Butyldimethyl((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-1-yl)oxy)silane
CID 16217344
(E)-tert-Butyldimethyl((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl)oxy)silane
CID 11688192
tert-butyl-dimethyl-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane
CID 9973646
tert-Butyldimethyl((3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-1-yl)oxy)silane
CID 11347477
(E)-Tert-butyldimethyl((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pent-4-EN-1-YL)oxy)silane
CID 11851250
[(3R)-3,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 16750756
tert-butyl-dimethyl-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane
CID 24754553
tert-butyl-[(E)-4-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane
CID 24850804
tert-butyl-[(E)-4-[dimethyl(propan-2-yloxy)silyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]-dimethylsilane
CID 49765288
lithium tert-butyl-[(E)-5-(2-tert-butyl-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)pent-4-enoxy]-dimethylsilane
CID 57332414
dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-enyl]silane
CID 101499393
dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]silane
CID 101555549

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane (CID 101350027) is tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane is C=C(CCCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane?
The InChIKey is ZYUMWALPVFIXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35BO3Si/c1-14(18-20-16(5,6)17(7,8)21-18)12-11-13-19-22(9,10)15(2,3)4/h1,11-13H2,2-10H3.
What are the key properties of tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane?
tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane has a molecular weight of 326.36 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane is sourced from PubChem (CID 101350027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).