CID 155658975

C21H44O3Si2 — CID 155658975

IUPAC—
SMILESCCCCC[Si](CCCCC)(OC(=O)C(C)C[Si]OC(C)(C)C)C(C)C
InChIInChI=1S/C21H44O3Si2/c1-9-11-13-15-26(18(3)4,16-14-12-10-2)23-20(22)19(5)17-25-24-21(6,7)8/h18-19H,9-17H2,1-8H3
InChIKeyZGYZAFWBEHPLAI-UHFFFAOYSA-N
MW400.75 g/mol
LogP6.75
Rot. Bonds14

About CID 155658975

CID 155658975 (PubChem CID 155658975) has the molecular formula C21H44O3Si2 and a molecular weight of 400.75 g/mol.

Molecular Properties

Compound NameCID 155658975
PubChem CID155658975
Molecular FormulaC21H44O3Si2
Molecular Weight400.75 g/mol
Exact Mass400.28
IUPAC Name—
SMILESCCCCC[Si](CCCCC)(OC(=O)C(C)C[Si]OC(C)(C)C)C(C)C
InChIInChI=1S/C21H44O3Si2/c1-9-11-13-15-26(18(3)4,16-14-12-10-2)23-20(22)19(5)17-25-24-21(6,7)8/h18-19H,9-17H2,1-8H3
InChIKeyZGYZAFWBEHPLAI-UHFFFAOYSA-N
XLogP6.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.75
LogP ≤ 56.75
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 155658975?
The IUPAC name of CID 155658975 (CID 155658975) is not available.
What is the SMILES notation for CID 155658975?
The canonical SMILES for CID 155658975 is CCCCC[Si](CCCCC)(OC(=O)C(C)C[Si]OC(C)(C)C)C(C)C.
What is the InChIKey of CID 155658975?
The InChIKey is ZGYZAFWBEHPLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O3Si2/c1-9-11-13-15-26(18(3)4,16-14-12-10-2)23-20(22)19(5)17-25-24-21(6,7)8/h18-19H,9-17H2,1-8H3.
What are the key properties of CID 155658975?
CID 155658975 has a molecular weight of 400.75 g/mol, XLogP of 6.75, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155658975 is sourced from PubChem (CID 155658975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).