CID 58325592

C26H50O6Si2 — CID 58325592

IUPAC—
SMILESCCO[Si]CCCCC(=O)CCCCOCCCCOCCCCC(=O)CCCC[Si]OCC
InChIInChI=1S/C26H50O6Si2/c1-3-31-33-23-13-7-17-25(27)15-5-9-19-29-21-11-12-22-30-20-10-6-16-26(28)18-8-14-24-34-32-4-2/h3-24H2,1-2H3
InChIKeyXTUBJBVOEXKJDP-UHFFFAOYSA-N
MW514.85 g/mol
LogP5.77
Rot. Bonds29

About CID 58325592

CID 58325592 (PubChem CID 58325592) has the molecular formula C26H50O6Si2 and a molecular weight of 514.85 g/mol.

Molecular Properties

Compound NameCID 58325592
PubChem CID58325592
Molecular FormulaC26H50O6Si2
Molecular Weight514.85 g/mol
Exact Mass514.31
IUPAC Name—
SMILESCCO[Si]CCCCC(=O)CCCCOCCCCOCCCCC(=O)CCCC[Si]OCC
InChIInChI=1S/C26H50O6Si2/c1-3-31-33-23-13-7-17-25(27)15-5-9-19-29-21-11-12-22-30-20-10-6-16-26(28)18-8-14-24-34-32-4-2/h3-24H2,1-2H3
InChIKeyXTUBJBVOEXKJDP-UHFFFAOYSA-N
XLogP5.77
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.85
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58325592?
The IUPAC name of CID 58325592 (CID 58325592) is not available.
What is the SMILES notation for CID 58325592?
The canonical SMILES for CID 58325592 is CCO[Si]CCCCC(=O)CCCCOCCCCOCCCCC(=O)CCCC[Si]OCC.
What is the InChIKey of CID 58325592?
The InChIKey is XTUBJBVOEXKJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O6Si2/c1-3-31-33-23-13-7-17-25(27)15-5-9-19-29-21-11-12-22-30-20-10-6-16-26(28)18-8-14-24-34-32-4-2/h3-24H2,1-2H3.
What are the key properties of CID 58325592?
CID 58325592 has a molecular weight of 514.85 g/mol, XLogP of 5.77, 29 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58325592 is sourced from PubChem (CID 58325592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).