CID 22412862

C32H53N3OSi — CID 22412862

IUPAC—
SMILESCCCCCCCCOc1ccc(-c2ncccc2[Si]CCCC(C)CCCC(C)CCCCC)nn1
InChIInChI=1S/C32H53N3OSi/c1-5-7-9-10-11-13-25-36-31-23-22-29(34-35-31)32-30(21-15-24-33-32)37-26-16-20-28(4)19-14-18-27(3)17-12-8-6-2/h15,21-24,27-28H,5-14,16-20,25-26H2,1-4H3
InChIKeyDCSCOKAECZKHHC-UHFFFAOYSA-N
MW523.88 g/mol
LogP8.83
Rot. Bonds22

About CID 22412862

CID 22412862 (PubChem CID 22412862) has the molecular formula C32H53N3OSi and a molecular weight of 523.88 g/mol.

Molecular Properties

Compound NameCID 22412862
PubChem CID22412862
Molecular FormulaC32H53N3OSi
Molecular Weight523.88 g/mol
Exact Mass523.40
IUPAC Name—
SMILESCCCCCCCCOc1ccc(-c2ncccc2[Si]CCCC(C)CCCC(C)CCCCC)nn1
InChIInChI=1S/C32H53N3OSi/c1-5-7-9-10-11-13-25-36-31-23-22-29(34-35-31)32-30(21-15-24-33-32)37-26-16-20-28(4)19-14-18-27(3)17-12-8-6-2/h15,21-24,27-28H,5-14,16-20,25-26H2,1-4H3
InChIKeyDCSCOKAECZKHHC-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 22412948
CID 22412948
CID 22412853
CID 22412853
CID 22412707
CID 22412707
3-pentoxy-6-phenylpyridazine
CID 19760650
3-dodecoxy-6-[2-(2-methylbutoxy)phenyl]pyridazine
CID 19909361
3-heptoxy-6-(2-octoxyphenyl)pyridazine
CID 19909321
3-(4-dodecoxyphenyl)-6-(2-methylbutoxy)pyridazine;3-(2-methylbutoxy)-6-(4-undecoxyphenyl)pyridazine
CID 70427294
2-(3-methyloctyl)pyridine;hydrochloride
CID 172780204
CID 22413049
CID 22413049
6-hexoxypyridazin-3-amine
CID 11959089
CID 22412629
CID 22412629
3-(4-heptoxyphenyl)-6-[(2R)-2-hexoxypropoxy]pyridazine
CID 18645450

Frequently Asked Questions

What is the IUPAC name of CID 22412862?
The IUPAC name of CID 22412862 (CID 22412862) is not available.
What is the SMILES notation for CID 22412862?
The canonical SMILES for CID 22412862 is CCCCCCCCOc1ccc(-c2ncccc2[Si]CCCC(C)CCCC(C)CCCCC)nn1.
What is the InChIKey of CID 22412862?
The InChIKey is DCSCOKAECZKHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H53N3OSi/c1-5-7-9-10-11-13-25-36-31-23-22-29(34-35-31)32-30(21-15-24-33-32)37-26-16-20-28(4)19-14-18-27(3)17-12-8-6-2/h15,21-24,27-28H,5-14,16-20,25-26H2,1-4H3.
What are the key properties of CID 22412862?
CID 22412862 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 22412862 is sourced from PubChem (CID 22412862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).