CID 151517165

C13H20O3SSi — CID 151517165

IUPAC—
SMILESCCc1ccc(S(=O)(=O)O)c([Si]C(C)C)c1CC
InChIInChI=1S/C13H20O3SSi/c1-5-10-7-8-12(17(14,15)16)13(11(10)6-2)18-9(3)4/h7-9H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyDMXHJMUXMMCIIZ-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.22
Rot. Bonds5

About CID 151517165

CID 151517165 (PubChem CID 151517165) has the molecular formula C13H20O3SSi and a molecular weight of 284.45 g/mol.

Molecular Properties

Compound NameCID 151517165
PubChem CID151517165
Molecular FormulaC13H20O3SSi
Molecular Weight284.45 g/mol
Exact Mass284.09
IUPAC Name—
SMILESCCc1ccc(S(=O)(=O)O)c([Si]C(C)C)c1CC
InChIInChI=1S/C13H20O3SSi/c1-5-10-7-8-12(17(14,15)16)13(11(10)6-2)18-9(3)4/h7-9H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyDMXHJMUXMMCIIZ-UHFFFAOYSA-N
XLogP2.22
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 151517165?
The IUPAC name of CID 151517165 (CID 151517165) is not available.
What is the SMILES notation for CID 151517165?
The canonical SMILES for CID 151517165 is CCc1ccc(S(=O)(=O)O)c([Si]C(C)C)c1CC.
What is the InChIKey of CID 151517165?
The InChIKey is DMXHJMUXMMCIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3SSi/c1-5-10-7-8-12(17(14,15)16)13(11(10)6-2)18-9(3)4/h7-9H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of CID 151517165?
CID 151517165 has a molecular weight of 284.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 151517165 is sourced from PubChem (CID 151517165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).