2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrazine

C15H22N2O2 — CID 144515494

IUPAC2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrazine
SMILESC=CC(CC/C=C(/C)COCc1cnccn1)OC
InChIInChI=1S/C15H22N2O2/c1-4-15(18-3)7-5-6-13(2)11-19-12-14-10-16-8-9-17-14/h4,6,8-10,15H,1,5,7,11-12H2,2-3H3/b13-6-
InChIKeyQIRJVIMVNWMWAG-MLPAPPSSSA-N
MW262.35 g/mol
LogP2.92
Rot. Bonds9

About 2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrazine

2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrazine (PubChem CID 144515494) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrazine.

Molecular Properties

Compound Name2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrazine
PubChem CID144515494
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrazine
SMILESC=CC(CC/C=C(/C)COCc1cnccn1)OC
InChIInChI=1S/C15H22N2O2/c1-4-15(18-3)7-5-6-13(2)11-19-12-14-10-16-8-9-17-14/h4,6,8-10,15H,1,5,7,11-12H2,2-3H3/b13-6-
InChIKeyQIRJVIMVNWMWAG-MLPAPPSSSA-N
XLogP2.92
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Ethoxyethyl)pyrazine
CID 71406239
2-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]pyrazine
CID 176701007
2-(Butoxymethyl)-5-methylpyrazine
CID 13446311
2-(Propan-2-yloxymethyl)pyrazine
CID 23323031
2-(Butoxymethyl)pyrazine
CID 54527818
[5-(Pyrazin-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone
CID 57268529
2-(1-Methoxyprop-2-enyl)pyrazine
CID 67803510
2,6-Bis(1-methoxyethyl)pyrazine
CID 68980176
2-Methyl-5-(pentoxymethyl)pyrazine
CID 70414950
2-[(3-Ethyl-6-methyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine
CID 71106421
(4S,5R,6Z)-3-methoxy-5,7-dimethyl-8-(pyrazin-2-ylmethoxy)octa-1,6-dien-4-ol
CID 71481595
2-[(3,6-Dimethyl-1-bicyclo[3.1.1]hepta-2,4-dienyl)oxymethyl]pyrazine
CID 90278772

Frequently Asked Questions

What is the IUPAC name of 2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrazine?
The IUPAC name of 2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrazine (CID 144515494) is 2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrazine.
What is the SMILES notation for 2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrazine?
The canonical SMILES for 2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrazine is C=CC(CC/C=C(/C)COCc1cnccn1)OC.
What is the InChIKey of 2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrazine?
The InChIKey is QIRJVIMVNWMWAG-MLPAPPSSSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-15(18-3)7-5-6-13(2)11-19-12-14-10-16-8-9-17-14/h4,6,8-10,15H,1,5,7,11-12H2,2-3H3/b13-6-.
What are the key properties of 2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrazine?
2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrazine has a molecular weight of 262.35 g/mol, XLogP of 2.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrazine is sourced from PubChem (CID 144515494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).