CID 159020557

C17H22BN2Si — CID 159020557

IUPAC—
SMILESCC(C)(C)[Si](C)(C)N1[B]C(c2ccc(C#N)cc2)=CC=C1
InChIInChI=1S/C17H22BN2Si/c1-17(2,3)21(4,5)20-12-6-7-16(18-20)15-10-8-14(13-19)9-11-15/h6-12H,1-5H3
InChIKeyAEOOYHZGWWOFGC-UHFFFAOYSA-N
MW293.28 g/mol
LogP4.35
Rot. Bonds2

About CID 159020557

CID 159020557 (PubChem CID 159020557) has the molecular formula C17H22BN2Si and a molecular weight of 293.28 g/mol.

Molecular Properties

Compound NameCID 159020557
PubChem CID159020557
Molecular FormulaC17H22BN2Si
Molecular Weight293.28 g/mol
Exact Mass293.16
IUPAC Name—
SMILESCC(C)(C)[Si](C)(C)N1[B]C(c2ccc(C#N)cc2)=CC=C1
InChIInChI=1S/C17H22BN2Si/c1-17(2,3)21(4,5)20-12-6-7-16(18-20)15-10-8-14(13-19)9-11-15/h6-12H,1-5H3
InChIKeyAEOOYHZGWWOFGC-UHFFFAOYSA-N
XLogP4.35
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 CID 159020557?
The IUPAC name of CID 159020557 (CID 159020557) is not available.
What is the SMILES notation for CID 159020557?
The canonical SMILES for CID 159020557 is CC(C)(C)[Si](C)(C)N1[B]C(c2ccc(C#N)cc2)=CC=C1.
What is the InChIKey of CID 159020557?
The InChIKey is AEOOYHZGWWOFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BN2Si/c1-17(2,3)21(4,5)20-12-6-7-16(18-20)15-10-8-14(13-19)9-11-15/h6-12H,1-5H3.
What are the key properties of CID 159020557?
CID 159020557 has a molecular weight of 293.28 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159020557 is sourced from PubChem (CID 159020557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).