2,5-dimethylnonyl-[6-[5-(4-hexoxybutyl)-2-pyridinyl]pyrazin-2-yl]oxysilane

C30H51N3O2Si — CID 137328068

IUPAC2,5-dimethylnonyl-[6-[5-(4-hexoxybutyl)-2-pyridinyl]pyrazin-2-yl]oxysilane
SMILESCCCCCCOCCCCc1ccc(-c2cncc(O[SiH2]CC(C)CCC(C)CCCC)n2)nc1
InChIInChI=1S/C30H51N3O2Si/c1-5-7-9-11-19-34-20-12-10-14-27-17-18-28(32-21-27)29-22-31-23-30(33-29)35-36-24-26(4)16-15-25(3)13-8-6-2/h17-18,21-23,25-26H,5-16,19-20,24,36H2,1-4H3
InChIKeyIPBDTWPIHIFSGS-UHFFFAOYSA-N
MW513.84 g/mol
LogP7.58
Rot. Bonds21

About 2,5-dimethylnonyl-[6-[5-(4-hexoxybutyl)-2-pyridinyl]pyrazin-2-yl]oxysilane

2,5-dimethylnonyl-[6-[5-(4-hexoxybutyl)-2-pyridinyl]pyrazin-2-yl]oxysilane (PubChem CID 137328068) has the molecular formula C30H51N3O2Si and a molecular weight of 513.84 g/mol. Its IUPAC name is 2,5-dimethylnonyl-[6-[5-(4-hexoxybutyl)-2-pyridinyl]pyrazin-2-yl]oxysilane.

Molecular Properties

Compound Name2,5-dimethylnonyl-[6-[5-(4-hexoxybutyl)-2-pyridinyl]pyrazin-2-yl]oxysilane
PubChem CID137328068
Molecular FormulaC30H51N3O2Si
Molecular Weight513.84 g/mol
Exact Mass513.38
IUPAC Name2,5-dimethylnonyl-[6-[5-(4-hexoxybutyl)-2-pyridinyl]pyrazin-2-yl]oxysilane
SMILESCCCCCCOCCCCc1ccc(-c2cncc(O[SiH2]CC(C)CCC(C)CCCC)n2)nc1
InChIInChI=1S/C30H51N3O2Si/c1-5-7-9-11-19-34-20-12-10-14-27-17-18-28(32-21-27)29-22-31-23-30(33-29)35-36-24-26(4)16-15-25(3)13-8-6-2/h17-18,21-23,25-26H,5-16,19-20,24,36H2,1-4H3
InChIKeyIPBDTWPIHIFSGS-UHFFFAOYSA-N
XLogP7.58
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.84
LogP ≤ 57.58
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 22412963
CID 22412963
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 22412824
CID 22412824
2-[4-(5-methylheptoxy)phenyl]-5-octylpyridine
CID 14401540
5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine
CID 19807965
5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine
CID 14401544
2-[4-(5-ethoxypentoxy)phenyl]-5-nonylpyridine
CID 22445582
2-[4-(5-heptyl-2-pyridinyl)phenyl]-5-(8-methoxyoctyl)pyrimidine
CID 139621555
2-[4-[4-[(2S)-2-methylbutoxy]butoxy]phenyl]-5-octylpyrimidine
CID 18611646
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylnonyl-[6-[5-(4-hexoxybutyl)-2-pyridinyl]pyrazin-2-yl]oxysilane?
The IUPAC name of 2,5-dimethylnonyl-[6-[5-(4-hexoxybutyl)-2-pyridinyl]pyrazin-2-yl]oxysilane (CID 137328068) is 2,5-dimethylnonyl-[6-[5-(4-hexoxybutyl)-2-pyridinyl]pyrazin-2-yl]oxysilane.
What is the SMILES notation for 2,5-dimethylnonyl-[6-[5-(4-hexoxybutyl)-2-pyridinyl]pyrazin-2-yl]oxysilane?
The canonical SMILES for 2,5-dimethylnonyl-[6-[5-(4-hexoxybutyl)-2-pyridinyl]pyrazin-2-yl]oxysilane is CCCCCCOCCCCc1ccc(-c2cncc(O[SiH2]CC(C)CCC(C)CCCC)n2)nc1.
What is the InChIKey of 2,5-dimethylnonyl-[6-[5-(4-hexoxybutyl)-2-pyridinyl]pyrazin-2-yl]oxysilane?
The InChIKey is IPBDTWPIHIFSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51N3O2Si/c1-5-7-9-11-19-34-20-12-10-14-27-17-18-28(32-21-27)29-22-31-23-30(33-29)35-36-24-26(4)16-15-25(3)13-8-6-2/h17-18,21-23,25-26H,5-16,19-20,24,36H2,1-4H3.
What are the key properties of 2,5-dimethylnonyl-[6-[5-(4-hexoxybutyl)-2-pyridinyl]pyrazin-2-yl]oxysilane?
2,5-dimethylnonyl-[6-[5-(4-hexoxybutyl)-2-pyridinyl]pyrazin-2-yl]oxysilane has a molecular weight of 513.84 g/mol, XLogP of 7.58, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylnonyl-[6-[5-(4-hexoxybutyl)-2-pyridinyl]pyrazin-2-yl]oxysilane is sourced from PubChem (CID 137328068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).