3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenoxy]-N,N-bis(trimethylsilyl)propan-1-amine

C17H38BNO3Si2 — CID 11046921

IUPAC3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenoxy]-N,N-bis(trimethylsilyl)propan-1-amine
SMILESCC1(C)OB(/C=C/OCCCN([Si](C)(C)C)[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C17H38BNO3Si2/c1-16(2)17(3,4)22-18(21-16)12-15-20-14-11-13-19(23(5,6)7)24(8,9)10/h12,15H,11,13-14H2,1-10H3/b15-12+
InChIKeyAZOSTHYBPICPSN-NTCAYCPXSA-N
MW371.48 g/mol
LogP4.51
Rot. Bonds8

About 3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenoxy]-N,N-bis(trimethylsilyl)propan-1-amine

3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenoxy]-N,N-bis(trimethylsilyl)propan-1-amine (PubChem CID 11046921) has the molecular formula C17H38BNO3Si2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenoxy]-N,N-bis(trimethylsilyl)propan-1-amine.

Molecular Properties

Compound Name3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenoxy]-N,N-bis(trimethylsilyl)propan-1-amine
PubChem CID11046921
Molecular FormulaC17H38BNO3Si2
Molecular Weight371.48 g/mol
Exact Mass371.25
IUPAC Name3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenoxy]-N,N-bis(trimethylsilyl)propan-1-amine
SMILESCC1(C)OB(/C=C/OCCCN([Si](C)(C)C)[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C17H38BNO3Si2/c1-16(2)17(3,4)22-18(21-16)12-15-20-14-11-13-19(23(5,6)7)24(8,9)10/h12,15H,11,13-14H2,1-10H3/b15-12+
InChIKeyAZOSTHYBPICPSN-NTCAYCPXSA-N
XLogP4.51
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenoxy]-N,N-bis(trimethylsilyl)propan-1-amine?
The IUPAC name of 3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenoxy]-N,N-bis(trimethylsilyl)propan-1-amine (CID 11046921) is 3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenoxy]-N,N-bis(trimethylsilyl)propan-1-amine.
What is the SMILES notation for 3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenoxy]-N,N-bis(trimethylsilyl)propan-1-amine?
The canonical SMILES for 3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenoxy]-N,N-bis(trimethylsilyl)propan-1-amine is CC1(C)OB(/C=C/OCCCN([Si](C)(C)C)[Si](C)(C)C)OC1(C)C.
What is the InChIKey of 3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenoxy]-N,N-bis(trimethylsilyl)propan-1-amine?
The InChIKey is AZOSTHYBPICPSN-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H38BNO3Si2/c1-16(2)17(3,4)22-18(21-16)12-15-20-14-11-13-19(23(5,6)7)24(8,9)10/h12,15H,11,13-14H2,1-10H3/b15-12+.
What are the key properties of 3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenoxy]-N,N-bis(trimethylsilyl)propan-1-amine?
3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenoxy]-N,N-bis(trimethylsilyl)propan-1-amine has a molecular weight of 371.48 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenoxy]-N,N-bis(trimethylsilyl)propan-1-amine is sourced from PubChem (CID 11046921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).