CID 11367929

C9H15BNOSi- — CID 11367929

IUPAC—
SMILESCCOC([B-]C#N)C#C[Si](C)(C)C
InChIInChI=1S/C9H15BNOSi/c1-5-12-9(10-8-11)6-7-13(2,3)4/h9H,5H2,1-4H3/q-1
InChIKeyJSOVMWQIEJYKQA-UHFFFAOYSA-N
MW192.12 g/mol
LogP1.42
Rot. Bonds3

About CID 11367929

CID 11367929 (PubChem CID 11367929) has the molecular formula C9H15BNOSi- and a molecular weight of 192.12 g/mol.

Molecular Properties

Compound NameCID 11367929
PubChem CID11367929
Molecular FormulaC9H15BNOSi-
Molecular Weight192.12 g/mol
Exact Mass192.10
IUPAC Name—
SMILESCCOC([B-]C#N)C#C[Si](C)(C)C
InChIInChI=1S/C9H15BNOSi/c1-5-12-9(10-8-11)6-7-13(2,3)4/h9H,5H2,1-4H3/q-1
InChIKeyJSOVMWQIEJYKQA-UHFFFAOYSA-N
XLogP1.42
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.12
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11367929?
The IUPAC name of CID 11367929 (CID 11367929) is not available.
What is the SMILES notation for CID 11367929?
The canonical SMILES for CID 11367929 is CCOC([B-]C#N)C#C[Si](C)(C)C.
What is the InChIKey of CID 11367929?
The InChIKey is JSOVMWQIEJYKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BNOSi/c1-5-12-9(10-8-11)6-7-13(2,3)4/h9H,5H2,1-4H3/q-1.
What are the key properties of CID 11367929?
CID 11367929 has a molecular weight of 192.12 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11367929 is sourced from PubChem (CID 11367929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).