CID 87144552

C21H44O4Si2 — CID 87144552

IUPAC—
SMILESCCCCOC(C[Si]C[Si]CC(OCCCC)OCCCC)OCCCC
InChIInChI=1S/C21H44O4Si2/c1-5-9-13-22-20(23-14-10-6-2)17-26-19-27-18-21(24-15-11-7-3)25-16-12-8-4/h20-21H,5-19H2,1-4H3
InChIKeyJRDGWRVLLJYUBV-UHFFFAOYSA-N
MW416.75 g/mol
LogP5.53
Rot. Bonds22

About CID 87144552

CID 87144552 (PubChem CID 87144552) has the molecular formula C21H44O4Si2 and a molecular weight of 416.75 g/mol.

Molecular Properties

Compound NameCID 87144552
PubChem CID87144552
Molecular FormulaC21H44O4Si2
Molecular Weight416.75 g/mol
Exact Mass416.28
IUPAC Name—
SMILESCCCCOC(C[Si]C[Si]CC(OCCCC)OCCCC)OCCCC
InChIInChI=1S/C21H44O4Si2/c1-5-9-13-22-20(23-14-10-6-2)17-26-19-27-18-21(24-15-11-7-3)25-16-12-8-4/h20-21H,5-19H2,1-4H3
InChIKeyJRDGWRVLLJYUBV-UHFFFAOYSA-N
XLogP5.53
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.75
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 87144552?
The IUPAC name of CID 87144552 (CID 87144552) is not available.
What is the SMILES notation for CID 87144552?
The canonical SMILES for CID 87144552 is CCCCOC(C[Si]C[Si]CC(OCCCC)OCCCC)OCCCC.
What is the InChIKey of CID 87144552?
The InChIKey is JRDGWRVLLJYUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O4Si2/c1-5-9-13-22-20(23-14-10-6-2)17-26-19-27-18-21(24-15-11-7-3)25-16-12-8-4/h20-21H,5-19H2,1-4H3.
What are the key properties of CID 87144552?
CID 87144552 has a molecular weight of 416.75 g/mol, XLogP of 5.53, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87144552 is sourced from PubChem (CID 87144552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).