2,3-bis(2-undecoxyethyl)thieno[3,4-b]pyrazine

C32H56N2O2S — CID 67519617

IUPAC2,3-bis(2-undecoxyethyl)thieno[3,4-b]pyrazine
SMILESCCCCCCCCCCCOCCc1nc2cscc2nc1CCOCCCCCCCCCCC
InChIInChI=1S/C32H56N2O2S/c1-3-5-7-9-11-13-15-17-19-23-35-25-21-29-30(34-32-28-37-27-31(32)33-29)22-26-36-24-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26H2,1-2H3
InChIKeyPZAAKZZPDJOIJE-UHFFFAOYSA-N
MW532.88 g/mol
LogP9.87
Rot. Bonds26

About 2,3-bis(2-undecoxyethyl)thieno[3,4-b]pyrazine

2,3-bis(2-undecoxyethyl)thieno[3,4-b]pyrazine (PubChem CID 67519617) has the molecular formula C32H56N2O2S and a molecular weight of 532.88 g/mol. Its IUPAC name is 2,3-bis(2-undecoxyethyl)thieno[3,4-b]pyrazine.

Molecular Properties

Compound Name2,3-bis(2-undecoxyethyl)thieno[3,4-b]pyrazine
PubChem CID67519617
Molecular FormulaC32H56N2O2S
Molecular Weight532.88 g/mol
Exact Mass532.41
IUPAC Name2,3-bis(2-undecoxyethyl)thieno[3,4-b]pyrazine
SMILESCCCCCCCCCCCOCCc1nc2cscc2nc1CCOCCCCCCCCCCC
InChIInChI=1S/C32H56N2O2S/c1-3-5-7-9-11-13-15-17-19-23-35-25-21-29-30(34-32-28-37-27-31(32)33-29)22-26-36-24-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26H2,1-2H3
InChIKeyPZAAKZZPDJOIJE-UHFFFAOYSA-N
XLogP9.87
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.88
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-didecoxythieno[3,4-b]pyrazine
CID 21200017
3-dodecoxythieno[3,4-b]pyrazine
CID 139758024
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
4-(2-pentoxyethyl)phenol
CID 67806399
2-(5-pentoxypentyl)thiophene
CID 91586139

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-undecoxyethyl)thieno[3,4-b]pyrazine?
The IUPAC name of 2,3-bis(2-undecoxyethyl)thieno[3,4-b]pyrazine (CID 67519617) is 2,3-bis(2-undecoxyethyl)thieno[3,4-b]pyrazine.
What is the SMILES notation for 2,3-bis(2-undecoxyethyl)thieno[3,4-b]pyrazine?
The canonical SMILES for 2,3-bis(2-undecoxyethyl)thieno[3,4-b]pyrazine is CCCCCCCCCCCOCCc1nc2cscc2nc1CCOCCCCCCCCCCC.
What is the InChIKey of 2,3-bis(2-undecoxyethyl)thieno[3,4-b]pyrazine?
The InChIKey is PZAAKZZPDJOIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N2O2S/c1-3-5-7-9-11-13-15-17-19-23-35-25-21-29-30(34-32-28-37-27-31(32)33-29)22-26-36-24-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26H2,1-2H3.
What are the key properties of 2,3-bis(2-undecoxyethyl)thieno[3,4-b]pyrazine?
2,3-bis(2-undecoxyethyl)thieno[3,4-b]pyrazine has a molecular weight of 532.88 g/mol, XLogP of 9.87, 26 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-undecoxyethyl)thieno[3,4-b]pyrazine is sourced from PubChem (CID 67519617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).