bis(dodecanoic acid);pyrazine

C28H52N2O4 — CID 139195059

IUPACbis(dodecanoic acid);pyrazine
SMILESCCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.c1cnccn1
InChIInChI=1S/2C12H24O2.C4H4N2/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2-6-4-3-5-1/h2*2-11H2,1H3,(H,13,14);1-4H
InChIKeyCJFQCFZHFHXCAM-UHFFFAOYSA-N
MW480.73 g/mol
LogP8.46
Rot. Bonds20

About bis(dodecanoic acid);pyrazine

bis(dodecanoic acid);pyrazine (PubChem CID 139195059) has the molecular formula C28H52N2O4 and a molecular weight of 480.73 g/mol. Its IUPAC name is bis(dodecanoic acid);pyrazine.

Molecular Properties

Compound Namebis(dodecanoic acid);pyrazine
PubChem CID139195059
Molecular FormulaC28H52N2O4
Molecular Weight480.73 g/mol
Exact Mass480.39
IUPAC Namebis(dodecanoic acid);pyrazine
SMILESCCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.c1cnccn1
InChIInChI=1S/2C12H24O2.C4H4N2/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2-6-4-3-5-1/h2*2-11H2,1H3,(H,13,14);1-4H
InChIKeyCJFQCFZHFHXCAM-UHFFFAOYSA-N
XLogP8.46
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.73
LogP ≤ 58.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze bis(dodecanoic acid);pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

octadecanoic acid;pyridine
CID 67593140
benzene;hexadecanoic acid
CID 162199490
benzene;decanoic acid
CID 159351150
octadecanoic acid
CID 157075632
decanoic acid;heptanoic acid;nonanoic acid;octanoic acid
CID 163854999
hexadecane;hexadecanedioic acid
CID 159838474
decanoic acid;hexanedioic acid;nonanedioic acid
CID 161134683
bis(hexane);tetradecanoic acid
CID 173301731
dodecanoic acid
CID 158187269
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024

Frequently Asked Questions

What is the IUPAC name of bis(dodecanoic acid);pyrazine?
The IUPAC name of bis(dodecanoic acid);pyrazine (CID 139195059) is bis(dodecanoic acid);pyrazine.
What is the SMILES notation for bis(dodecanoic acid);pyrazine?
The canonical SMILES for bis(dodecanoic acid);pyrazine is CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.c1cnccn1.
What is the InChIKey of bis(dodecanoic acid);pyrazine?
The InChIKey is CJFQCFZHFHXCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H24O2.C4H4N2/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2-6-4-3-5-1/h2*2-11H2,1H3,(H,13,14);1-4H.
What are the key properties of bis(dodecanoic acid);pyrazine?
bis(dodecanoic acid);pyrazine has a molecular weight of 480.73 g/mol, XLogP of 8.46, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dodecanoic acid);pyrazine is sourced from PubChem (CID 139195059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).