4,5-diethyl-1,2,2-trimethyl-3-phenyl-1,2,5-azasilaborole

C15H24BNSi — CID 615144

IUPAC4,5-diethyl-1,2,2-trimethyl-3-phenyl-1,2,5-azasilaborole
SMILESCCB1C(CC)=C(c2ccccc2)[Si](C)(C)N1C
InChIInChI=1S/C15H24BNSi/c1-6-14-15(13-11-9-8-10-12-13)18(4,5)17(3)16(14)7-2/h8-12H,6-7H2,1-5H3
InChIKeySHQJYQQOYVCLDP-UHFFFAOYSA-N
MW257.26 g/mol
LogP4.09
Rot. Bonds3

About 4,5-diethyl-1,2,2-trimethyl-3-phenyl-1,2,5-azasilaborole

4,5-diethyl-1,2,2-trimethyl-3-phenyl-1,2,5-azasilaborole (PubChem CID 615144) has the molecular formula C15H24BNSi and a molecular weight of 257.26 g/mol. Its IUPAC name is 4,5-diethyl-1,2,2-trimethyl-3-phenyl-1,2,5-azasilaborole.

Molecular Properties

Compound Name4,5-diethyl-1,2,2-trimethyl-3-phenyl-1,2,5-azasilaborole
PubChem CID615144
Molecular FormulaC15H24BNSi
Molecular Weight257.26 g/mol
Exact Mass257.18
IUPAC Name4,5-diethyl-1,2,2-trimethyl-3-phenyl-1,2,5-azasilaborole
SMILESCCB1C(CC)=C(c2ccccc2)[Si](C)(C)N1C
InChIInChI=1S/C15H24BNSi/c1-6-14-15(13-11-9-8-10-12-13)18(4,5)17(3)16(14)7-2/h8-12H,6-7H2,1-5H3
InChIKeySHQJYQQOYVCLDP-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4,5-diethyl-1,2,2-trimethyl-3-phenyl-1,2,5-azasilaborole?
The IUPAC name of 4,5-diethyl-1,2,2-trimethyl-3-phenyl-1,2,5-azasilaborole (CID 615144) is 4,5-diethyl-1,2,2-trimethyl-3-phenyl-1,2,5-azasilaborole.
What is the SMILES notation for 4,5-diethyl-1,2,2-trimethyl-3-phenyl-1,2,5-azasilaborole?
The canonical SMILES for 4,5-diethyl-1,2,2-trimethyl-3-phenyl-1,2,5-azasilaborole is CCB1C(CC)=C(c2ccccc2)[Si](C)(C)N1C.
What is the InChIKey of 4,5-diethyl-1,2,2-trimethyl-3-phenyl-1,2,5-azasilaborole?
The InChIKey is SHQJYQQOYVCLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BNSi/c1-6-14-15(13-11-9-8-10-12-13)18(4,5)17(3)16(14)7-2/h8-12H,6-7H2,1-5H3.
What are the key properties of 4,5-diethyl-1,2,2-trimethyl-3-phenyl-1,2,5-azasilaborole?
4,5-diethyl-1,2,2-trimethyl-3-phenyl-1,2,5-azasilaborole has a molecular weight of 257.26 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1,2,2-trimethyl-3-phenyl-1,2,5-azasilaborole is sourced from PubChem (CID 615144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).