CID 54119058

C9H13OSi — CID 54119058

IUPAC—
SMILESC[Si](O)CCc1ccccc1
InChIInChI=1S/C9H13OSi/c1-11(10)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyBNNUHCVTSUCCLU-UHFFFAOYSA-N
MW165.29 g/mol
LogP1.84
Rot. Bonds3

About CID 54119058

CID 54119058 (PubChem CID 54119058) has the molecular formula C9H13OSi and a molecular weight of 165.29 g/mol.

Molecular Properties

Compound NameCID 54119058
PubChem CID54119058
Molecular FormulaC9H13OSi
Molecular Weight165.29 g/mol
Exact Mass165.07
IUPAC Name—
SMILESC[Si](O)CCc1ccccc1
InChIInChI=1S/C9H13OSi/c1-11(10)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyBNNUHCVTSUCCLU-UHFFFAOYSA-N
XLogP1.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
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 CID 54119058?
The IUPAC name of CID 54119058 (CID 54119058) is not available.
What is the SMILES notation for CID 54119058?
The canonical SMILES for CID 54119058 is C[Si](O)CCc1ccccc1.
What is the InChIKey of CID 54119058?
The InChIKey is BNNUHCVTSUCCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13OSi/c1-11(10)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3.
What are the key properties of CID 54119058?
CID 54119058 has a molecular weight of 165.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54119058 is sourced from PubChem (CID 54119058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).