CID 20621939

C16H40O3Si4 — CID 20621939

IUPAC—
SMILESCCC[Si](C)(C)O[Si](C)(C)C[Si]C(C)(CC)OO[Si](C)(C)CC
InChIInChI=1S/C16H40O3Si4/c1-11-14-22(7,8)19-23(9,10)15-20-16(4,12-2)17-18-21(5,6)13-3/h11-15H2,1-10H3
InChIKeyROQUTPPEIIHJDR-UHFFFAOYSA-N
MW392.84 g/mol
LogP5.78
Rot. Bonds12

About CID 20621939

CID 20621939 (PubChem CID 20621939) has the molecular formula C16H40O3Si4 and a molecular weight of 392.84 g/mol.

Molecular Properties

Compound NameCID 20621939
PubChem CID20621939
Molecular FormulaC16H40O3Si4
Molecular Weight392.84 g/mol
Exact Mass392.21
IUPAC Name—
SMILESCCC[Si](C)(C)O[Si](C)(C)C[Si]C(C)(CC)OO[Si](C)(C)CC
InChIInChI=1S/C16H40O3Si4/c1-11-14-22(7,8)19-23(9,10)15-20-16(4,12-2)17-18-21(5,6)13-3/h11-15H2,1-10H3
InChIKeyROQUTPPEIIHJDR-UHFFFAOYSA-N
XLogP5.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 20621939?
The IUPAC name of CID 20621939 (CID 20621939) is not available.
What is the SMILES notation for CID 20621939?
The canonical SMILES for CID 20621939 is CCC[Si](C)(C)O[Si](C)(C)C[Si]C(C)(CC)OO[Si](C)(C)CC.
What is the InChIKey of CID 20621939?
The InChIKey is ROQUTPPEIIHJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40O3Si4/c1-11-14-22(7,8)19-23(9,10)15-20-16(4,12-2)17-18-21(5,6)13-3/h11-15H2,1-10H3.
What are the key properties of CID 20621939?
CID 20621939 has a molecular weight of 392.84 g/mol, XLogP of 5.78, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20621939 is sourced from PubChem (CID 20621939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).