CID 22294455

C26H39OSi — CID 22294455

IUPAC—
SMILESCCCCCCCCCC(C)CCCO[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C26H39OSi/c1-3-4-5-6-7-8-11-17-24(2)18-16-23-27-28(25-19-12-9-13-20-25)26-21-14-10-15-22-26/h9-10,12-15,19-22,24H,3-8,11,16-18,23H2,1-2H3
InChIKeyJMSZNMOAYNEQMC-UHFFFAOYSA-N
MW395.68 g/mol
LogP6.37
Rot. Bonds15

About CID 22294455

CID 22294455 (PubChem CID 22294455) has the molecular formula C26H39OSi and a molecular weight of 395.68 g/mol.

Molecular Properties

Compound NameCID 22294455
PubChem CID22294455
Molecular FormulaC26H39OSi
Molecular Weight395.68 g/mol
Exact Mass395.28
IUPAC Name—
SMILESCCCCCCCCCC(C)CCCO[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C26H39OSi/c1-3-4-5-6-7-8-11-17-24(2)18-16-23-27-28(25-19-12-9-13-20-25)26-21-14-10-15-22-26/h9-10,12-15,19-22,24H,3-8,11,16-18,23H2,1-2H3
InChIKeyJMSZNMOAYNEQMC-UHFFFAOYSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.68
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

CID 22294452
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CID 163303720
ethane;2-methylheptylbenzene
CID 142204161
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
3-methylnonadecyl benzenesulfonate
CID 54191758
9-methyldocosane
CID 22223822
10,20-dimethyltriacontane
CID 91752048
13-methyldotriacontane
CID 6430396

Frequently Asked Questions

What is the IUPAC name of CID 22294455?
The IUPAC name of CID 22294455 (CID 22294455) is not available.
What is the SMILES notation for CID 22294455?
The canonical SMILES for CID 22294455 is CCCCCCCCCC(C)CCCO[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of CID 22294455?
The InChIKey is JMSZNMOAYNEQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39OSi/c1-3-4-5-6-7-8-11-17-24(2)18-16-23-27-28(25-19-12-9-13-20-25)26-21-14-10-15-22-26/h9-10,12-15,19-22,24H,3-8,11,16-18,23H2,1-2H3.
What are the key properties of CID 22294455?
CID 22294455 has a molecular weight of 395.68 g/mol, XLogP of 6.37, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22294455 is sourced from PubChem (CID 22294455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).