CID 22558577

C7H12NOSSi — CID 22558577

IUPAC—
SMILESCC(C)(CCCSC#N)O[Si]
InChIInChI=1S/C7H12NOSSi/c1-7(2,9-11)4-3-5-10-6-8/h3-5H2,1-2H3
InChIKeyFAWPCLTWAXSBEM-UHFFFAOYSA-N
MW186.33 g/mol
LogP1.86
Rot. Bonds5

About CID 22558577

CID 22558577 (PubChem CID 22558577) has the molecular formula C7H12NOSSi and a molecular weight of 186.33 g/mol.

Molecular Properties

Compound NameCID 22558577
PubChem CID22558577
Molecular FormulaC7H12NOSSi
Molecular Weight186.33 g/mol
Exact Mass186.04
IUPAC Name—
SMILESCC(C)(CCCSC#N)O[Si]
InChIInChI=1S/C7H12NOSSi/c1-7(2,9-11)4-3-5-10-6-8/h3-5H2,1-2H3
InChIKeyFAWPCLTWAXSBEM-UHFFFAOYSA-N
XLogP1.86
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 22558577?
The IUPAC name of CID 22558577 (CID 22558577) is not available.
What is the SMILES notation for CID 22558577?
The canonical SMILES for CID 22558577 is CC(C)(CCCSC#N)O[Si].
What is the InChIKey of CID 22558577?
The InChIKey is FAWPCLTWAXSBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NOSSi/c1-7(2,9-11)4-3-5-10-6-8/h3-5H2,1-2H3.
What are the key properties of CID 22558577?
CID 22558577 has a molecular weight of 186.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22558577 is sourced from PubChem (CID 22558577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).