CID 70499043

C16H15Si — CID 70499043

IUPAC—
SMILESCc1cccc(C([Si])=Cc2ccccc2)c1C
InChIInChI=1S/C16H15Si/c1-12-7-6-10-15(13(12)2)16(17)11-14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyKUERDJULPUASBT-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.97
Rot. Bonds2

About CID 70499043

CID 70499043 (PubChem CID 70499043) has the molecular formula C16H15Si and a molecular weight of 235.38 g/mol.

Molecular Properties

Compound NameCID 70499043
PubChem CID70499043
Molecular FormulaC16H15Si
Molecular Weight235.38 g/mol
Exact Mass235.09
IUPAC Name—
SMILESCc1cccc(C([Si])=Cc2ccccc2)c1C
InChIInChI=1S/C16H15Si/c1-12-7-6-10-15(13(12)2)16(17)11-14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyKUERDJULPUASBT-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 70499043?
The IUPAC name of CID 70499043 (CID 70499043) is not available.
What is the SMILES notation for CID 70499043?
The canonical SMILES for CID 70499043 is Cc1cccc(C([Si])=Cc2ccccc2)c1C.
What is the InChIKey of CID 70499043?
The InChIKey is KUERDJULPUASBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Si/c1-12-7-6-10-15(13(12)2)16(17)11-14-8-4-3-5-9-14/h3-11H,1-2H3.
What are the key properties of CID 70499043?
CID 70499043 has a molecular weight of 235.38 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70499043 is sourced from PubChem (CID 70499043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).