CID 22294452

C27H41OSi — CID 22294452

IUPAC—
SMILESCCCCCCCCCCC(C)CCCO[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C27H41OSi/c1-3-4-5-6-7-8-9-12-18-25(2)19-17-24-28-29(26-20-13-10-14-21-26)27-22-15-11-16-23-27/h10-11,13-16,20-23,25H,3-9,12,17-19,24H2,1-2H3
InChIKeyLPSPBPHGGUUFKQ-UHFFFAOYSA-N
MW409.71 g/mol
LogP6.76
Rot. Bonds16

About CID 22294452

CID 22294452 (PubChem CID 22294452) has the molecular formula C27H41OSi and a molecular weight of 409.71 g/mol.

Molecular Properties

Compound NameCID 22294452
PubChem CID22294452
Molecular FormulaC27H41OSi
Molecular Weight409.71 g/mol
Exact Mass409.29
IUPAC Name—
SMILESCCCCCCCCCCC(C)CCCO[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C27H41OSi/c1-3-4-5-6-7-8-9-12-18-25(2)19-17-24-28-29(26-20-13-10-14-21-26)27-22-15-11-16-23-27/h10-11,13-16,20-23,25H,3-9,12,17-19,24H2,1-2H3
InChIKeyLPSPBPHGGUUFKQ-UHFFFAOYSA-N
XLogP6.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.71
LogP ≤ 56.76
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 22294455
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CID 142204161
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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 22294452?
The IUPAC name of CID 22294452 (CID 22294452) is not available.
What is the SMILES notation for CID 22294452?
The canonical SMILES for CID 22294452 is CCCCCCCCCCC(C)CCCO[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of CID 22294452?
The InChIKey is LPSPBPHGGUUFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41OSi/c1-3-4-5-6-7-8-9-12-18-25(2)19-17-24-28-29(26-20-13-10-14-21-26)27-22-15-11-16-23-27/h10-11,13-16,20-23,25H,3-9,12,17-19,24H2,1-2H3.
What are the key properties of CID 22294452?
CID 22294452 has a molecular weight of 409.71 g/mol, XLogP of 6.76, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22294452 is sourced from PubChem (CID 22294452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).