CID 171486094

C20H41O2SSi — CID 171486094

IUPAC—
SMILESCCCCCCC(=O)SCCCC(C)O[Si](CCCC)CCCC
InChIInChI=1S/C20H41O2SSi/c1-5-8-11-12-15-20(21)23-16-13-14-19(4)22-24(17-9-6-2)18-10-7-3/h19H,5-18H2,1-4H3
InChIKeyZDGAFKNJTQOOIN-UHFFFAOYSA-N
MW373.70 g/mol
LogP6.99
Rot. Bonds17

About CID 171486094

CID 171486094 (PubChem CID 171486094) has the molecular formula C20H41O2SSi and a molecular weight of 373.70 g/mol.

Molecular Properties

Compound NameCID 171486094
PubChem CID171486094
Molecular FormulaC20H41O2SSi
Molecular Weight373.70 g/mol
Exact Mass373.26
IUPAC Name—
SMILESCCCCCCC(=O)SCCCC(C)O[Si](CCCC)CCCC
InChIInChI=1S/C20H41O2SSi/c1-5-8-11-12-15-20(21)23-16-13-14-19(4)22-24(17-9-6-2)18-10-7-3/h19H,5-18H2,1-4H3
InChIKeyZDGAFKNJTQOOIN-UHFFFAOYSA-N
XLogP6.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.70
LogP ≤ 56.99
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 171486094?
The IUPAC name of CID 171486094 (CID 171486094) is not available.
What is the SMILES notation for CID 171486094?
The canonical SMILES for CID 171486094 is CCCCCCC(=O)SCCCC(C)O[Si](CCCC)CCCC.
What is the InChIKey of CID 171486094?
The InChIKey is ZDGAFKNJTQOOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41O2SSi/c1-5-8-11-12-15-20(21)23-16-13-14-19(4)22-24(17-9-6-2)18-10-7-3/h19H,5-18H2,1-4H3.
What are the key properties of CID 171486094?
CID 171486094 has a molecular weight of 373.70 g/mol, XLogP of 6.99, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171486094 is sourced from PubChem (CID 171486094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).