CID 155629584

C11H17O2SSi — CID 155629584

IUPAC—
SMILESCCO[Si](OCC)c1cc(C)ccc1S
InChIInChI=1S/C11H17O2SSi/c1-4-12-15(13-5-2)11-8-9(3)6-7-10(11)14/h6-8,14H,4-5H2,1-3H3
InChIKeyHHDFKCSRVJQNSZ-UHFFFAOYSA-N
MW241.41 g/mol
LogP2.05
Rot. Bonds5

About CID 155629584

CID 155629584 (PubChem CID 155629584) has the molecular formula C11H17O2SSi and a molecular weight of 241.41 g/mol.

Molecular Properties

Compound NameCID 155629584
PubChem CID155629584
Molecular FormulaC11H17O2SSi
Molecular Weight241.41 g/mol
Exact Mass241.07
IUPAC Name—
SMILESCCO[Si](OCC)c1cc(C)ccc1S
InChIInChI=1S/C11H17O2SSi/c1-4-12-15(13-5-2)11-8-9(3)6-7-10(11)14/h6-8,14H,4-5H2,1-3H3
InChIKeyHHDFKCSRVJQNSZ-UHFFFAOYSA-N
XLogP2.05
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 155629584?
The IUPAC name of CID 155629584 (CID 155629584) is not available.
What is the SMILES notation for CID 155629584?
The canonical SMILES for CID 155629584 is CCO[Si](OCC)c1cc(C)ccc1S.
What is the InChIKey of CID 155629584?
The InChIKey is HHDFKCSRVJQNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O2SSi/c1-4-12-15(13-5-2)11-8-9(3)6-7-10(11)14/h6-8,14H,4-5H2,1-3H3.
What are the key properties of CID 155629584?
CID 155629584 has a molecular weight of 241.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155629584 is sourced from PubChem (CID 155629584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).