CID 140618692

C14H15OSi — CID 140618692

IUPAC—
SMILESC[Si](O)CC=Cc1cccc2ccccc12
InChIInChI=1S/C14H15OSi/c1-16(15)11-5-9-13-8-4-7-12-6-2-3-10-14(12)13/h2-10,15H,11H2,1H3
InChIKeyHQXQBLPHLQBZDQ-UHFFFAOYSA-N
MW227.36 g/mol
LogP3.47
Rot. Bonds3

About CID 140618692

CID 140618692 (PubChem CID 140618692) has the molecular formula C14H15OSi and a molecular weight of 227.36 g/mol.

Molecular Properties

Compound NameCID 140618692
PubChem CID140618692
Molecular FormulaC14H15OSi
Molecular Weight227.36 g/mol
Exact Mass227.09
IUPAC Name—
SMILESC[Si](O)CC=Cc1cccc2ccccc12
InChIInChI=1S/C14H15OSi/c1-16(15)11-5-9-13-8-4-7-12-6-2-3-10-14(12)13/h2-10,15H,11H2,1H3
InChIKeyHQXQBLPHLQBZDQ-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 53.47
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 140618692?
The IUPAC name of CID 140618692 (CID 140618692) is not available.
What is the SMILES notation for CID 140618692?
The canonical SMILES for CID 140618692 is C[Si](O)CC=Cc1cccc2ccccc12.
What is the InChIKey of CID 140618692?
The InChIKey is HQXQBLPHLQBZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15OSi/c1-16(15)11-5-9-13-8-4-7-12-6-2-3-10-14(12)13/h2-10,15H,11H2,1H3.
What are the key properties of CID 140618692?
CID 140618692 has a molecular weight of 227.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140618692 is sourced from PubChem (CID 140618692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).