CID 22558574

C8H14NOSSi — CID 22558574

IUPAC—
SMILESCC(C)(CCCCSC#N)O[Si]
InChIInChI=1S/C8H14NOSSi/c1-8(2,10-12)5-3-4-6-11-7-9/h3-6H2,1-2H3
InChIKeyLDGWYKFQTPOMKW-UHFFFAOYSA-N
MW200.36 g/mol
LogP2.25
Rot. Bonds6

About CID 22558574

CID 22558574 (PubChem CID 22558574) has the molecular formula C8H14NOSSi and a molecular weight of 200.36 g/mol.

Molecular Properties

Compound NameCID 22558574
PubChem CID22558574
Molecular FormulaC8H14NOSSi
Molecular Weight200.36 g/mol
Exact Mass200.06
IUPAC Name—
SMILESCC(C)(CCCCSC#N)O[Si]
InChIInChI=1S/C8H14NOSSi/c1-8(2,10-12)5-3-4-6-11-7-9/h3-6H2,1-2H3
InChIKeyLDGWYKFQTPOMKW-UHFFFAOYSA-N
XLogP2.25
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.36
LogP ≤ 52.25
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 22558574?
The IUPAC name of CID 22558574 (CID 22558574) is not available.
What is the SMILES notation for CID 22558574?
The canonical SMILES for CID 22558574 is CC(C)(CCCCSC#N)O[Si].
What is the InChIKey of CID 22558574?
The InChIKey is LDGWYKFQTPOMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NOSSi/c1-8(2,10-12)5-3-4-6-11-7-9/h3-6H2,1-2H3.
What are the key properties of CID 22558574?
CID 22558574 has a molecular weight of 200.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22558574 is sourced from PubChem (CID 22558574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).