CID 22412853

C31H51N3O2Si2 — CID 22412853

IUPAC—
SMILESCCCCC(C)CCC(C)C[Si]Oc1ccc(-c2ncccc2O[Si]CCCC(C)C(C)CCCC)nn1
InChIInChI=1S/C31H51N3O2Si2/c1-7-9-13-24(3)17-18-25(4)23-38-36-30-20-19-28(33-34-30)31-29(16-11-21-32-31)35-37-22-12-15-27(6)26(5)14-10-8-2/h11,16,19-21,24-27H,7-10,12-15,17-18,22-23H2,1-6H3
InChIKeyYGYLXZUAPQUCAT-UHFFFAOYSA-N
MW553.94 g/mol
LogP8.86
Rot. Bonds21

About CID 22412853

CID 22412853 (PubChem CID 22412853) has the molecular formula C31H51N3O2Si2 and a molecular weight of 553.94 g/mol.

Molecular Properties

Compound NameCID 22412853
PubChem CID22412853
Molecular FormulaC31H51N3O2Si2
Molecular Weight553.94 g/mol
Exact Mass553.35
IUPAC Name—
SMILESCCCCC(C)CCC(C)C[Si]Oc1ccc(-c2ncccc2O[Si]CCCC(C)C(C)CCCC)nn1
InChIInChI=1S/C31H51N3O2Si2/c1-7-9-13-24(3)17-18-25(4)23-38-36-30-20-19-28(33-34-30)31-29(16-11-21-32-31)35-37-22-12-15-27(6)26(5)14-10-8-2/h11,16,19-21,24-27H,7-10,12-15,17-18,22-23H2,1-6H3
InChIKeyYGYLXZUAPQUCAT-UHFFFAOYSA-N
XLogP8.86
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.94
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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3-heptan-3-yl-2-pyridin-2-ylpyridine
CID 154256710
CID 22413049
CID 22413049
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Frequently Asked Questions

What is the IUPAC name of CID 22412853?
The IUPAC name of CID 22412853 (CID 22412853) is not available.
What is the SMILES notation for CID 22412853?
The canonical SMILES for CID 22412853 is CCCCC(C)CCC(C)C[Si]Oc1ccc(-c2ncccc2O[Si]CCCC(C)C(C)CCCC)nn1.
What is the InChIKey of CID 22412853?
The InChIKey is YGYLXZUAPQUCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H51N3O2Si2/c1-7-9-13-24(3)17-18-25(4)23-38-36-30-20-19-28(33-34-30)31-29(16-11-21-32-31)35-37-22-12-15-27(6)26(5)14-10-8-2/h11,16,19-21,24-27H,7-10,12-15,17-18,22-23H2,1-6H3.
What are the key properties of CID 22412853?
CID 22412853 has a molecular weight of 553.94 g/mol, XLogP of 8.86, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22412853 is sourced from PubChem (CID 22412853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).