CID 22412629

C32H53N3OSi — CID 22412629

IUPAC—
SMILESCCCCCCCCOc1ccc(-c2cncc([Si]CC(C)CCCCCC(C)CCCCC)n2)cn1
InChIInChI=1S/C32H53N3OSi/c1-5-7-9-10-11-16-22-36-31-21-20-29(23-34-31)30-24-33-25-32(35-30)37-26-28(4)19-15-12-14-18-27(3)17-13-8-6-2/h20-21,23-25,27-28H,5-19,22,26H2,1-4H3
InChIKeyMGBDBHVZSUQWEQ-UHFFFAOYSA-N
MW523.88 g/mol
LogP8.83
Rot. Bonds22

About CID 22412629

CID 22412629 (PubChem CID 22412629) has the molecular formula C32H53N3OSi and a molecular weight of 523.88 g/mol.

Molecular Properties

Compound NameCID 22412629
PubChem CID22412629
Molecular FormulaC32H53N3OSi
Molecular Weight523.88 g/mol
Exact Mass523.40
IUPAC Name—
SMILESCCCCCCCCOc1ccc(-c2cncc([Si]CC(C)CCCCCC(C)CCCCC)n2)cn1
InChIInChI=1S/C32H53N3OSi/c1-5-7-9-10-11-16-22-36-31-21-20-29(23-34-31)30-24-33-25-32(35-30)37-26-28(4)19-15-12-14-18-27(3)17-13-8-6-2/h20-21,23-25,27-28H,5-19,22,26H2,1-4H3
InChIKeyMGBDBHVZSUQWEQ-UHFFFAOYSA-N
XLogP8.83
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.88
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 22412819
CID 22412819
CID 22412963
CID 22412963
CID 22413049
CID 22413049
5-(4-ethylphenyl)-2-pentoxypyridine
CID 138716515
CID 19050471
CID 19050471
2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine
CID 22412891
2-(6-octoxy-3-pyridinyl)pyrimidin-5-ol
CID 19389361
5-(8-methyldecoxy)-2-(4-octoxyphenyl)pyrimidine
CID 14496398
5-(6-methyloctoxy)-2-(4-octoxyphenyl)pyrimidine
CID 19869285
3-methyloctyl 2-(4-octoxyphenyl)pyrimidine-5-carboxylate
CID 23180688
3-(4-butoxybutoxy)-6-(6-heptyl-3-pyridinyl)pyridazine
CID 22412684
CID 22412862
CID 22412862

Frequently Asked Questions

What is the IUPAC name of CID 22412629?
The IUPAC name of CID 22412629 (CID 22412629) is not available.
What is the SMILES notation for CID 22412629?
The canonical SMILES for CID 22412629 is CCCCCCCCOc1ccc(-c2cncc([Si]CC(C)CCCCCC(C)CCCCC)n2)cn1.
What is the InChIKey of CID 22412629?
The InChIKey is MGBDBHVZSUQWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H53N3OSi/c1-5-7-9-10-11-16-22-36-31-21-20-29(23-34-31)30-24-33-25-32(35-30)37-26-28(4)19-15-12-14-18-27(3)17-13-8-6-2/h20-21,23-25,27-28H,5-19,22,26H2,1-4H3.
What are the key properties of CID 22412629?
CID 22412629 has a molecular weight of 523.88 g/mol, XLogP of 8.83, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22412629 is sourced from PubChem (CID 22412629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).