CID 68897016

C12H18IOSi — CID 68897016

IUPAC—
SMILESC[Si](C)c1c(O)ccc(C(C)(C)C)c1I
InChIInChI=1S/C12H18IOSi/c1-12(2,3)8-6-7-9(14)11(10(8)13)15(4)5/h6-7,14H,1-5H3
InChIKeyWDSZBQPATBQFSB-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.26
Rot. Bonds1

About CID 68897016

CID 68897016 (PubChem CID 68897016) has the molecular formula C12H18IOSi and a molecular weight of 333.27 g/mol.

Molecular Properties

Compound NameCID 68897016
PubChem CID68897016
Molecular FormulaC12H18IOSi
Molecular Weight333.27 g/mol
Exact Mass333.02
IUPAC Name—
SMILESC[Si](C)c1c(O)ccc(C(C)(C)C)c1I
InChIInChI=1S/C12H18IOSi/c1-12(2,3)8-6-7-9(14)11(10(8)13)15(4)5/h6-7,14H,1-5H3
InChIKeyWDSZBQPATBQFSB-UHFFFAOYSA-N
XLogP3.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 68897016?
The IUPAC name of CID 68897016 (CID 68897016) is not available.
What is the SMILES notation for CID 68897016?
The canonical SMILES for CID 68897016 is C[Si](C)c1c(O)ccc(C(C)(C)C)c1I.
What is the InChIKey of CID 68897016?
The InChIKey is WDSZBQPATBQFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IOSi/c1-12(2,3)8-6-7-9(14)11(10(8)13)15(4)5/h6-7,14H,1-5H3.
What are the key properties of CID 68897016?
CID 68897016 has a molecular weight of 333.27 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68897016 is sourced from PubChem (CID 68897016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).