CID 22412948

C32H53N3O2Si — CID 22412948

IUPAC—
SMILESCCCCCC(C)CCCC(C)CCC[Si]c1cccnc1-c1ccc(OCCCCOCCCC)nn1
InChIInChI=1S/C32H53N3O2Si/c1-5-7-9-15-27(3)16-12-17-28(4)18-14-26-38-30-19-13-22-33-32(30)29-20-21-31(35-34-29)37-25-11-10-24-36-23-8-6-2/h13,19-22,27-28H,5-12,14-18,23-26H2,1-4H3
InChIKeyYWLNZQSXEQTTIR-UHFFFAOYSA-N
MW539.88 g/mol
LogP8.07
Rot. Bonds23

About CID 22412948

CID 22412948 (PubChem CID 22412948) has the molecular formula C32H53N3O2Si and a molecular weight of 539.88 g/mol.

Molecular Properties

Compound NameCID 22412948
PubChem CID22412948
Molecular FormulaC32H53N3O2Si
Molecular Weight539.88 g/mol
Exact Mass539.39
IUPAC Name—
SMILESCCCCCC(C)CCCC(C)CCC[Si]c1cccnc1-c1ccc(OCCCCOCCCC)nn1
InChIInChI=1S/C32H53N3O2Si/c1-5-7-9-15-27(3)16-12-17-28(4)18-14-26-38-30-19-13-22-33-32(30)29-20-21-31(35-34-29)37-25-11-10-24-36-23-8-6-2/h13,19-22,27-28H,5-12,14-18,23-26H2,1-4H3
InChIKeyYWLNZQSXEQTTIR-UHFFFAOYSA-N
XLogP8.07
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.88
LogP ≤ 58.07
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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CID 22412862
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CID 22412707
3-pentoxy-6-phenylpyridazine
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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
N-[[6-(2-butoxyethoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 55058292
CID 22412667
CID 22412667
3-(4-heptoxyphenyl)-6-[(2R)-2-hexoxypropoxy]pyridazine
CID 18645450

Frequently Asked Questions

What is the IUPAC name of CID 22412948?
The IUPAC name of CID 22412948 (CID 22412948) is not available.
What is the SMILES notation for CID 22412948?
The canonical SMILES for CID 22412948 is CCCCCC(C)CCCC(C)CCC[Si]c1cccnc1-c1ccc(OCCCCOCCCC)nn1.
What is the InChIKey of CID 22412948?
The InChIKey is YWLNZQSXEQTTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H53N3O2Si/c1-5-7-9-15-27(3)16-12-17-28(4)18-14-26-38-30-19-13-22-33-32(30)29-20-21-31(35-34-29)37-25-11-10-24-36-23-8-6-2/h13,19-22,27-28H,5-12,14-18,23-26H2,1-4H3.
What are the key properties of CID 22412948?
CID 22412948 has a molecular weight of 539.88 g/mol, XLogP of 8.07, 23 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22412948 is sourced from PubChem (CID 22412948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).