CID 171486106

C21H43O2SSi — CID 171486106

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

About CID 171486106

CID 171486106 (PubChem CID 171486106) has the molecular formula C21H43O2SSi and a molecular weight of 387.73 g/mol.

Molecular Properties

Compound NameCID 171486106
PubChem CID171486106
Molecular FormulaC21H43O2SSi
Molecular Weight387.73 g/mol
Exact Mass387.28
IUPAC Name—
SMILESCCCCCCCC(=O)SCCCC(C)O[Si](CCCC)CCCC
InChIInChI=1S/C21H43O2SSi/c1-5-8-11-12-13-16-21(22)24-17-14-15-20(4)23-25(18-9-6-2)19-10-7-3/h20H,5-19H2,1-4H3
InChIKeyLJHHTLCBIDOWDV-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'}

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Frequently Asked Questions

What is the IUPAC name of CID 171486106?
The IUPAC name of CID 171486106 (CID 171486106) is not available.
What is the SMILES notation for CID 171486106?
The canonical SMILES for CID 171486106 is CCCCCCCC(=O)SCCCC(C)O[Si](CCCC)CCCC.
What is the InChIKey of CID 171486106?
The InChIKey is LJHHTLCBIDOWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43O2SSi/c1-5-8-11-12-13-16-21(22)24-17-14-15-20(4)23-25(18-9-6-2)19-10-7-3/h20H,5-19H2,1-4H3.
What are the key properties of CID 171486106?
CID 171486106 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 171486106 is sourced from PubChem (CID 171486106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).