CID 68601323

C20H28O2Si — CID 68601323

IUPAC—
SMILESCCCCO[Si]OCCCC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H18O2Si/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-7-9-11-10-8-6-4-2/h1-10H;3-8H2,1-2H3
InChIKeyWVHJXWXZUARSPM-UHFFFAOYSA-N
MW328.53 g/mol
LogP5.51
Rot. Bonds9

About CID 68601323

CID 68601323 (PubChem CID 68601323) has the molecular formula C20H28O2Si and a molecular weight of 328.53 g/mol.

Molecular Properties

Compound NameCID 68601323
PubChem CID68601323
Molecular FormulaC20H28O2Si
Molecular Weight328.53 g/mol
Exact Mass328.19
IUPAC Name—
SMILESCCCCO[Si]OCCCC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H18O2Si/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-7-9-11-10-8-6-4-2/h1-10H;3-8H2,1-2H3
InChIKeyWVHJXWXZUARSPM-UHFFFAOYSA-N
XLogP5.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.53
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 136865288

Frequently Asked Questions

What is the IUPAC name of CID 68601323?
The IUPAC name of CID 68601323 (CID 68601323) is not available.
What is the SMILES notation for CID 68601323?
The canonical SMILES for CID 68601323 is CCCCO[Si]OCCCC.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of CID 68601323?
The InChIKey is WVHJXWXZUARSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C8H18O2Si/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-7-9-11-10-8-6-4-2/h1-10H;3-8H2,1-2H3.
What are the key properties of CID 68601323?
CID 68601323 has a molecular weight of 328.53 g/mol, XLogP of 5.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68601323 is sourced from PubChem (CID 68601323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).