tert-butyl-dimethyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]methoxy]silane

C18H35BO3Si — CID 169239754

IUPACtert-butyl-dimethyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]methoxy]silane
SMILESCC1(C)OB(C2=CCC(CO[Si](C)(C)C(C)(C)C)C2)OC1(C)C
InChIInChI=1S/C18H35BO3Si/c1-16(2,3)23(8,9)20-13-14-10-11-15(12-14)19-21-17(4,5)18(6,7)22-19/h11,14H,10,12-13H2,1-9H3
InChIKeyXBDMXAIGFFUAGW-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.98
Rot. Bonds4

About tert-butyl-dimethyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]methoxy]silane

tert-butyl-dimethyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]methoxy]silane (PubChem CID 169239754) has the molecular formula C18H35BO3Si and a molecular weight of 338.37 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]methoxy]silane
PubChem CID169239754
Molecular FormulaC18H35BO3Si
Molecular Weight338.37 g/mol
Exact Mass338.24
IUPAC Nametert-butyl-dimethyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]methoxy]silane
SMILESCC1(C)OB(C2=CCC(CO[Si](C)(C)C(C)(C)C)C2)OC1(C)C
InChIInChI=1S/C18H35BO3Si/c1-16(2,3)23(8,9)20-13-14-10-11-15(12-14)19-21-17(4,5)18(6,7)22-19/h11,14H,10,12-13H2,1-9H3
InChIKeyXBDMXAIGFFUAGW-UHFFFAOYSA-N
XLogP4.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-dimethyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]methoxy]silane (CID 169239754) is tert-butyl-dimethyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]methoxy]silane is CC1(C)OB(C2=CCC(CO[Si](C)(C)C(C)(C)C)C2)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]methoxy]silane?
The InChIKey is XBDMXAIGFFUAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35BO3Si/c1-16(2,3)23(8,9)20-13-14-10-11-15(12-14)19-21-17(4,5)18(6,7)22-19/h11,14H,10,12-13H2,1-9H3.
What are the key properties of tert-butyl-dimethyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]methoxy]silane?
tert-butyl-dimethyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]methoxy]silane has a molecular weight of 338.37 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]methoxy]silane is sourced from PubChem (CID 169239754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).