2-(4-tert-butylphenoxy)-3-nonylpyrazine

C23H34N2O — CID 20979308

IUPAC2-(4-tert-butylphenoxy)-3-nonylpyrazine
SMILESCCCCCCCCCc1nccnc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H34N2O/c1-5-6-7-8-9-10-11-12-21-22(25-18-17-24-21)26-20-15-13-19(14-16-20)23(2,3)4/h13-18H,5-12H2,1-4H3
InChIKeyKBAISCHUOPSUJX-UHFFFAOYSA-N
MW354.54 g/mol
LogP6.86
Rot. Bonds10

About 2-(4-tert-butylphenoxy)-3-nonylpyrazine

2-(4-tert-butylphenoxy)-3-nonylpyrazine (PubChem CID 20979308) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-3-nonylpyrazine.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-3-nonylpyrazine
PubChem CID20979308
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name2-(4-tert-butylphenoxy)-3-nonylpyrazine
SMILESCCCCCCCCCc1nccnc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H34N2O/c1-5-6-7-8-9-10-11-12-21-22(25-18-17-24-21)26-20-15-13-19(14-16-20)23(2,3)4/h13-18H,5-12H2,1-4H3
InChIKeyKBAISCHUOPSUJX-UHFFFAOYSA-N
XLogP6.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-nonyl-3-(4-phenylphenoxy)pyrazine
CID 20979288
2-decyl-3-methoxypyrazine
CID 528301
1-tert-butyl-4-undecylbenzene
CID 162402478
2-ethyl-3-phenoxypyrazine
CID 141210121
2-pentyl-3-phenoxypyridine
CID 173046802
2-(4-azidobutoxy)-3-decylpyrazine
CID 10616667
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
3,4-dimethyl-2-pentylpyridine
CID 86118015
[2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391130
(4-tert-butylphenoxy)-ethylalumanylium chloride
CID 21461038
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine
CID 135246459

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-3-nonylpyrazine?
The IUPAC name of 2-(4-tert-butylphenoxy)-3-nonylpyrazine (CID 20979308) is 2-(4-tert-butylphenoxy)-3-nonylpyrazine.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-3-nonylpyrazine?
The canonical SMILES for 2-(4-tert-butylphenoxy)-3-nonylpyrazine is CCCCCCCCCc1nccnc1Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-3-nonylpyrazine?
The InChIKey is KBAISCHUOPSUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-5-6-7-8-9-10-11-12-21-22(25-18-17-24-21)26-20-15-13-19(14-16-20)23(2,3)4/h13-18H,5-12H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenoxy)-3-nonylpyrazine?
2-(4-tert-butylphenoxy)-3-nonylpyrazine has a molecular weight of 354.54 g/mol, XLogP of 6.86, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-3-nonylpyrazine is sourced from PubChem (CID 20979308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).