CID 22412963

C34H57N3OSi — CID 22412963

IUPAC—
SMILESCCCCCCOCCCCc1ccc(-c2cncc([Si]CC(C)CCCCCC(C)CCCCC)n2)nc1
InChIInChI=1S/C34H57N3OSi/c1-5-7-9-15-23-38-24-16-14-20-31-21-22-32(36-25-31)33-26-35-27-34(37-33)39-28-30(4)19-13-10-12-18-29(3)17-11-8-6-2/h21-22,25-27,29-30H,5-20,23-24,28H2,1-4H3
InChIKeyVXXVISPBBFFKOC-UHFFFAOYSA-N
MW551.94 g/mol
LogP9.01
Rot. Bonds24

About CID 22412963

CID 22412963 (PubChem CID 22412963) has the molecular formula C34H57N3OSi and a molecular weight of 551.94 g/mol.

Molecular Properties

Compound NameCID 22412963
PubChem CID22412963
Molecular FormulaC34H57N3OSi
Molecular Weight551.94 g/mol
Exact Mass551.43
IUPAC Name—
SMILESCCCCCCOCCCCc1ccc(-c2cncc([Si]CC(C)CCCCCC(C)CCCCC)n2)nc1
InChIInChI=1S/C34H57N3OSi/c1-5-7-9-15-23-38-24-16-14-20-31-21-22-32(36-25-31)33-26-35-27-34(37-33)39-28-30(4)19-13-10-12-18-29(3)17-11-8-6-2/h21-22,25-27,29-30H,5-20,23-24,28H2,1-4H3
InChIKeyVXXVISPBBFFKOC-UHFFFAOYSA-N
XLogP9.01
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.94
LogP ≤ 59.01
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

2,5-dimethylnonyl-[6-[5-(4-hexoxybutyl)-2-pyridinyl]pyrazin-2-yl]oxysilane
CID 137328068
CID 22412629
CID 22412629
CID 22412819
CID 22412819
2,5-bis[5-(4-hexoxybutyl)-2-pyridinyl]pyrazine
CID 22412878
3-(5-heptyl-2-pyridinyl)-6-(4-hexoxybutyl)pyridazine
CID 22412895
5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
CID 14048482
CID 22413049
CID 22413049
2-[4-(5-methylheptoxy)phenyl]-5-octylpyridine
CID 14401540
CID 22412824
CID 22412824
5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine
CID 19807965
5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine
CID 14401544
5-(hexoxymethyl)-2-[4-(6-methyloctoxy)phenyl]pyridine
CID 67815414

Frequently Asked Questions

What is the IUPAC name of CID 22412963?
The IUPAC name of CID 22412963 (CID 22412963) is not available.
What is the SMILES notation for CID 22412963?
The canonical SMILES for CID 22412963 is CCCCCCOCCCCc1ccc(-c2cncc([Si]CC(C)CCCCCC(C)CCCCC)n2)nc1.
What is the InChIKey of CID 22412963?
The InChIKey is VXXVISPBBFFKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H57N3OSi/c1-5-7-9-15-23-38-24-16-14-20-31-21-22-32(36-25-31)33-26-35-27-34(37-33)39-28-30(4)19-13-10-12-18-29(3)17-11-8-6-2/h21-22,25-27,29-30H,5-20,23-24,28H2,1-4H3.
What are the key properties of CID 22412963?
CID 22412963 has a molecular weight of 551.94 g/mol, XLogP of 9.01, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22412963 is sourced from PubChem (CID 22412963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).