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

C17H33BO3Si — CID 14927838

IUPACtert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-ynoxy]silane
SMILESCC1(C)OB(C#CCCCO[Si](C)(C)C(C)(C)C)OC1(C)C
InChIInChI=1S/C17H33BO3Si/c1-15(2,3)22(8,9)19-14-12-10-11-13-18-20-16(4,5)17(6,7)21-18/h10,12,14H2,1-9H3
InChIKeyUPTCXZRKCJSZDV-UHFFFAOYSA-N
MW324.35 g/mol
LogP4.42
Rot. Bonds4

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

tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-ynoxy]silane (PubChem CID 14927838) has the molecular formula C17H33BO3Si and a molecular weight of 324.35 g/mol. Its IUPAC name is tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-ynoxy]silane
PubChem CID14927838
Molecular FormulaC17H33BO3Si
Molecular Weight324.35 g/mol
Exact Mass324.23
IUPAC Nametert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-ynoxy]silane
SMILESCC1(C)OB(C#CCCCO[Si](C)(C)C(C)(C)C)OC1(C)C
InChIInChI=1S/C17H33BO3Si/c1-15(2,3)22(8,9)19-14-12-10-11-13-18-20-16(4,5)17(6,7)21-18/h10,12,14H2,1-9H3
InChIKeyUPTCXZRKCJSZDV-UHFFFAOYSA-N
XLogP4.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.42
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

rac-tert-butyldimethyl{[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy}silane
CID 155858826
tert-Butyldimethyl((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-yn-2-yl)oxy)silane
CID 12174058
Tert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
CID 151148555
Trimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-ynyl]silane
CID 11010916
Tri(propan-2-yl)-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl]silane
CID 25058448
Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
CID 73067164
triethyl-[(3R,4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-yl]oxysilane
CID 134996778
Triisopropyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane
CID 135048786
Tert-butyl-dimethyl-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-yn-2-yl]oxysilane
CID 135079203
tert-Butyldimethyl(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy)silane
CID 138980576
Tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
CID 154712526
Triethyl-[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
CID 154718826

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-ynoxy]silane (CID 14927838) is tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-ynoxy]silane is CC1(C)OB(C#CCCCO[Si](C)(C)C(C)(C)C)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-ynoxy]silane?
The InChIKey is UPTCXZRKCJSZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33BO3Si/c1-15(2,3)22(8,9)19-14-12-10-11-13-18-20-16(4,5)17(6,7)21-18/h10,12,14H2,1-9H3.
What are the key properties of tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-ynoxy]silane?
tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-ynoxy]silane has a molecular weight of 324.35 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-ynoxy]silane is sourced from PubChem (CID 14927838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).