CID 22412667

C30H49N3O2Si — CID 22412667

IUPAC—
SMILESCCCCCCOCCCCc1cnc(-c2ncccc2O[Si]CCCC(C)C(C)CCCC)cn1
InChIInChI=1S/C30H49N3O2Si/c1-5-7-9-11-20-34-21-12-10-17-27-23-33-28(24-32-27)30-29(18-13-19-31-30)35-36-22-14-16-26(4)25(3)15-8-6-2/h13,18-19,23-26H,5-12,14-17,20-22H2,1-4H3
InChIKeyLQCVDHKSXZPULP-UHFFFAOYSA-N
MW511.83 g/mol
LogP8.12
Rot. Bonds21

About CID 22412667

CID 22412667 (PubChem CID 22412667) has the molecular formula C30H49N3O2Si and a molecular weight of 511.83 g/mol.

Molecular Properties

Compound NameCID 22412667
PubChem CID22412667
Molecular FormulaC30H49N3O2Si
Molecular Weight511.83 g/mol
Exact Mass511.36
IUPAC Name—
SMILESCCCCCCOCCCCc1cnc(-c2ncccc2O[Si]CCCC(C)C(C)CCCC)cn1
InChIInChI=1S/C30H49N3O2Si/c1-5-7-9-11-20-34-21-12-10-17-27-23-33-28(24-32-27)30-29(18-13-19-31-30)35-36-22-14-16-26(4)25(3)15-8-6-2/h13,18-19,23-26H,5-12,14-17,20-22H2,1-4H3
InChIKeyLQCVDHKSXZPULP-UHFFFAOYSA-N
XLogP8.12
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.83
LogP ≤ 58.12
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

CID 22412853
CID 22412853
2,5-bis[5-(4-hexoxybutyl)-2-pyridinyl]pyrazine
CID 22412878
[5-(4-hexoxybutyl)pyrazin-2-yl]boronic acid
CID 22412714
CID 22412651
CID 22412651
1-[2-(5-heptylpyrazin-2-yl)phenyl]-2-methylpentan-1-one
CID 67803241
3-(5-heptyl-2-pyridinyl)-6-(4-hexoxybutyl)pyridazine
CID 22412895
2-decyl-5-(3-fluoro-4-hexoxyphenyl)pyrazine
CID 139625367
2-(3-fluoro-4-heptoxyphenyl)-5-pentylpyrazine
CID 139625420
2,3-didecoxypyridine
CID 151922374
CID 22412948
CID 22412948
2-heptyl-5-(2-methylphenyl)pyrazine
CID 59546273
2-butyl-5-(3-fluoro-4-heptoxyphenyl)pyrazine
CID 139625361

Frequently Asked Questions

What is the IUPAC name of CID 22412667?
The IUPAC name of CID 22412667 (CID 22412667) is not available.
What is the SMILES notation for CID 22412667?
The canonical SMILES for CID 22412667 is CCCCCCOCCCCc1cnc(-c2ncccc2O[Si]CCCC(C)C(C)CCCC)cn1.
What is the InChIKey of CID 22412667?
The InChIKey is LQCVDHKSXZPULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H49N3O2Si/c1-5-7-9-11-20-34-21-12-10-17-27-23-33-28(24-32-27)30-29(18-13-19-31-30)35-36-22-14-16-26(4)25(3)15-8-6-2/h13,18-19,23-26H,5-12,14-17,20-22H2,1-4H3.
What are the key properties of CID 22412667?
CID 22412667 has a molecular weight of 511.83 g/mol, XLogP of 8.12, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22412667 is sourced from PubChem (CID 22412667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).