CID 171486103

C18H37O2SSi — CID 171486103

IUPAC—
SMILESCCCCCCC(=O)SCCCC(C)O[Si](CCC)CCC
InChIInChI=1S/C18H37O2SSi/c1-5-8-9-10-13-18(19)21-14-11-12-17(4)20-22(15-6-2)16-7-3/h17H,5-16H2,1-4H3
InChIKeyXSYCTDQAANQLST-UHFFFAOYSA-N
MW345.65 g/mol
LogP6.21
Rot. Bonds15

About CID 171486103

CID 171486103 (PubChem CID 171486103) has the molecular formula C18H37O2SSi and a molecular weight of 345.65 g/mol.

Molecular Properties

Compound NameCID 171486103
PubChem CID171486103
Molecular FormulaC18H37O2SSi
Molecular Weight345.65 g/mol
Exact Mass345.23
IUPAC Name—
SMILESCCCCCCC(=O)SCCCC(C)O[Si](CCC)CCC
InChIInChI=1S/C18H37O2SSi/c1-5-8-9-10-13-18(19)21-14-11-12-17(4)20-22(15-6-2)16-7-3/h17H,5-16H2,1-4H3
InChIKeyXSYCTDQAANQLST-UHFFFAOYSA-N
XLogP6.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.65
LogP ≤ 56.21
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 171486103?
The IUPAC name of CID 171486103 (CID 171486103) is not available.
What is the SMILES notation for CID 171486103?
The canonical SMILES for CID 171486103 is CCCCCCC(=O)SCCCC(C)O[Si](CCC)CCC.
What is the InChIKey of CID 171486103?
The InChIKey is XSYCTDQAANQLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37O2SSi/c1-5-8-9-10-13-18(19)21-14-11-12-17(4)20-22(15-6-2)16-7-3/h17H,5-16H2,1-4H3.
What are the key properties of CID 171486103?
CID 171486103 has a molecular weight of 345.65 g/mol, XLogP of 6.21, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171486103 is sourced from PubChem (CID 171486103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).