CID 171486087

C21H43O2SSi — CID 171486087

IUPAC—
SMILESCCCCCCC(=O)SCCC(CCC)O[Si](CCCC)CCCC
InChIInChI=1S/C21H43O2SSi/c1-5-9-12-13-15-21(22)24-17-16-20(14-8-4)23-25(18-10-6-2)19-11-7-3/h20H,5-19H2,1-4H3
InChIKeyRDLDWRYUSRPBRY-UHFFFAOYSA-N
MW387.73 g/mol
LogP7.38
Rot. Bonds18

About CID 171486087

CID 171486087 (PubChem CID 171486087) has the molecular formula C21H43O2SSi and a molecular weight of 387.73 g/mol.

Molecular Properties

Compound NameCID 171486087
PubChem CID171486087
Molecular FormulaC21H43O2SSi
Molecular Weight387.73 g/mol
Exact Mass387.28
IUPAC Name—
SMILESCCCCCCC(=O)SCCC(CCC)O[Si](CCCC)CCCC
InChIInChI=1S/C21H43O2SSi/c1-5-9-12-13-15-21(22)24-17-16-20(14-8-4)23-25(18-10-6-2)19-11-7-3/h20H,5-19H2,1-4H3
InChIKeyRDLDWRYUSRPBRY-UHFFFAOYSA-N
XLogP7.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.73
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 171486087 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 171486087?
The IUPAC name of CID 171486087 (CID 171486087) is not available.
What is the SMILES notation for CID 171486087?
The canonical SMILES for CID 171486087 is CCCCCCC(=O)SCCC(CCC)O[Si](CCCC)CCCC.
What is the InChIKey of CID 171486087?
The InChIKey is RDLDWRYUSRPBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43O2SSi/c1-5-9-12-13-15-21(22)24-17-16-20(14-8-4)23-25(18-10-6-2)19-11-7-3/h20H,5-19H2,1-4H3.
What are the key properties of CID 171486087?
CID 171486087 has a molecular weight of 387.73 g/mol, XLogP of 7.38, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171486087 is sourced from PubChem (CID 171486087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).