2,3-didecoxythieno[3,4-b]pyrazine

C26H44N2O2S — CID 21200017

IUPAC2,3-didecoxythieno[3,4-b]pyrazine
SMILESCCCCCCCCCCOc1nc2cscc2nc1OCCCCCCCCCC
InChIInChI=1S/C26H44N2O2S/c1-3-5-7-9-11-13-15-17-19-29-25-26(28-24-22-31-21-23(24)27-25)30-20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3
InChIKeyTUWAUNFZWVBYFT-UHFFFAOYSA-N
MW448.72 g/mol
LogP8.73
Rot. Bonds20

About 2,3-didecoxythieno[3,4-b]pyrazine

2,3-didecoxythieno[3,4-b]pyrazine (PubChem CID 21200017) has the molecular formula C26H44N2O2S and a molecular weight of 448.72 g/mol. Its IUPAC name is 2,3-didecoxythieno[3,4-b]pyrazine.

Molecular Properties

Compound Name2,3-didecoxythieno[3,4-b]pyrazine
PubChem CID21200017
Molecular FormulaC26H44N2O2S
Molecular Weight448.72 g/mol
Exact Mass448.31
IUPAC Name2,3-didecoxythieno[3,4-b]pyrazine
SMILESCCCCCCCCCCOc1nc2cscc2nc1OCCCCCCCCCC
InChIInChI=1S/C26H44N2O2S/c1-3-5-7-9-11-13-15-17-19-29-25-26(28-24-22-31-21-23(24)27-25)30-20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3
InChIKeyTUWAUNFZWVBYFT-UHFFFAOYSA-N
XLogP8.73
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.72
LogP ≤ 58.73
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-phenyl-3-tridecoxythieno[3,4-b]pyrazine
CID 21200077
3-dodecoxythieno[3,4-b]pyrazine
CID 139758024
2,3-didodecoxyquinoxaline
CID 139934452
2,3-bis(2-undecoxyethyl)thieno[3,4-b]pyrazine
CID 67519617
3,4-dihexoxythiophene;ethene
CID 175595567
4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole
CID 59523074
3-decoxy-4-methylthiophene
CID 86002875
4-dodecoxy-5-(4-dodecoxy-1,3-thiazol-5-yl)-1,3-thiazole
CID 59523103
[4-dodecoxy-5-[4-dodecoxy-2-tri(propan-2-yl)silyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-tri(propan-2-yl)silane
CID 59523108
3,4-bis(1-pentadecoxyethyl)thiophene
CID 21200067
3,8-dimethyl-6-octoxyphenanthridine
CID 59683845
2-undecyl-1H-thieno[3,4-d]imidazole
CID 21199937

Frequently Asked Questions

What is the IUPAC name of 2,3-didecoxythieno[3,4-b]pyrazine?
The IUPAC name of 2,3-didecoxythieno[3,4-b]pyrazine (CID 21200017) is 2,3-didecoxythieno[3,4-b]pyrazine.
What is the SMILES notation for 2,3-didecoxythieno[3,4-b]pyrazine?
The canonical SMILES for 2,3-didecoxythieno[3,4-b]pyrazine is CCCCCCCCCCOc1nc2cscc2nc1OCCCCCCCCCC.
What is the InChIKey of 2,3-didecoxythieno[3,4-b]pyrazine?
The InChIKey is TUWAUNFZWVBYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2O2S/c1-3-5-7-9-11-13-15-17-19-29-25-26(28-24-22-31-21-23(24)27-25)30-20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3.
What are the key properties of 2,3-didecoxythieno[3,4-b]pyrazine?
2,3-didecoxythieno[3,4-b]pyrazine has a molecular weight of 448.72 g/mol, XLogP of 8.73, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-didecoxythieno[3,4-b]pyrazine is sourced from PubChem (CID 21200017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).