CID 59957135

C17H24BN2O2Si — CID 59957135

IUPAC—
SMILESC[B]ON(c1ccc([Si](C)(C)C)cc1)c1ccc(N)c(OC)c1
InChIInChI=1S/C17H24BN2O2Si/c1-18-22-20(14-8-11-16(19)17(12-14)21-2)13-6-9-15(10-7-13)23(3,4)5/h6-12H,19H2,1-5H3
InChIKeyGXHYHIQTXUTZBM-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.56
Rot. Bonds6

About CID 59957135

CID 59957135 (PubChem CID 59957135) has the molecular formula C17H24BN2O2Si and a molecular weight of 327.29 g/mol.

Molecular Properties

Compound NameCID 59957135
PubChem CID59957135
Molecular FormulaC17H24BN2O2Si
Molecular Weight327.29 g/mol
Exact Mass327.17
IUPAC Name—
SMILESC[B]ON(c1ccc([Si](C)(C)C)cc1)c1ccc(N)c(OC)c1
InChIInChI=1S/C17H24BN2O2Si/c1-18-22-20(14-8-11-16(19)17(12-14)21-2)13-6-9-15(10-7-13)23(3,4)5/h6-12H,19H2,1-5H3
InChIKeyGXHYHIQTXUTZBM-UHFFFAOYSA-N
XLogP3.56
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59957135?
The IUPAC name of CID 59957135 (CID 59957135) is not available.
What is the SMILES notation for CID 59957135?
The canonical SMILES for CID 59957135 is C[B]ON(c1ccc([Si](C)(C)C)cc1)c1ccc(N)c(OC)c1.
What is the InChIKey of CID 59957135?
The InChIKey is GXHYHIQTXUTZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BN2O2Si/c1-18-22-20(14-8-11-16(19)17(12-14)21-2)13-6-9-15(10-7-13)23(3,4)5/h6-12H,19H2,1-5H3.
What are the key properties of CID 59957135?
CID 59957135 has a molecular weight of 327.29 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59957135 is sourced from PubChem (CID 59957135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).