CID 54393785

C24H49O3Si — CID 54393785

IUPAC—
SMILESCCOC(CCCCCCCCCCCCCCCCC[Si])(OCC)OCC
InChIInChI=1S/C24H49O3Si/c1-4-25-24(26-5-2,27-6-3)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-28/h4-23H2,1-3H3
InChIKeySJAQRTZLJSWFFX-UHFFFAOYSA-N
MW413.74 g/mol
LogP7.58
Rot. Bonds23

About CID 54393785

CID 54393785 (PubChem CID 54393785) has the molecular formula C24H49O3Si and a molecular weight of 413.74 g/mol.

Molecular Properties

Compound NameCID 54393785
PubChem CID54393785
Molecular FormulaC24H49O3Si
Molecular Weight413.74 g/mol
Exact Mass413.35
IUPAC Name—
SMILESCCOC(CCCCCCCCCCCCCCCCC[Si])(OCC)OCC
InChIInChI=1S/C24H49O3Si/c1-4-25-24(26-5-2,27-6-3)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-28/h4-23H2,1-3H3
InChIKeySJAQRTZLJSWFFX-UHFFFAOYSA-N
XLogP7.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.74
LogP ≤ 57.58
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 54393785?
The IUPAC name of CID 54393785 (CID 54393785) is not available.
What is the SMILES notation for CID 54393785?
The canonical SMILES for CID 54393785 is CCOC(CCCCCCCCCCCCCCCCC[Si])(OCC)OCC.
What is the InChIKey of CID 54393785?
The InChIKey is SJAQRTZLJSWFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49O3Si/c1-4-25-24(26-5-2,27-6-3)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-28/h4-23H2,1-3H3.
What are the key properties of CID 54393785?
CID 54393785 has a molecular weight of 413.74 g/mol, XLogP of 7.58, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54393785 is sourced from PubChem (CID 54393785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).