4-(3-decylpyrazin-2-yl)oxybutan-1-ol

C18H32N2O2 — CID 5273951

IUPAC4-(3-decylpyrazin-2-yl)oxybutan-1-ol
SMILESCCCCCCCCCCc1nccnc1OCCCCO
InChIInChI=1S/C18H32N2O2/c1-2-3-4-5-6-7-8-9-12-17-18(20-14-13-19-17)22-16-11-10-15-21/h13-14,21H,2-12,15-16H2,1H3
InChIKeyYQMCOPTVQLJERJ-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.31
Rot. Bonds14

About 4-(3-decylpyrazin-2-yl)oxybutan-1-ol

4-(3-decylpyrazin-2-yl)oxybutan-1-ol (PubChem CID 5273951) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 4-(3-decylpyrazin-2-yl)oxybutan-1-ol.

Molecular Properties

Compound Name4-(3-decylpyrazin-2-yl)oxybutan-1-ol
PubChem CID5273951
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name4-(3-decylpyrazin-2-yl)oxybutan-1-ol
SMILESCCCCCCCCCCc1nccnc1OCCCCO
InChIInChI=1S/C18H32N2O2/c1-2-3-4-5-6-7-8-9-12-17-18(20-14-13-19-17)22-16-11-10-15-21/h13-14,21H,2-12,15-16H2,1H3
InChIKeyYQMCOPTVQLJERJ-UHFFFAOYSA-N
XLogP4.31
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pyrazine, 2-hexyl-3-methoxy
CID 528305
2-Butyl-3-methoxypyrazine
CID 528313
2-Methoxy-3-pentylpyrazine
CID 528321
Pyrazine, 2-decyl-3-methoxy
CID 528301
2-Ethoxy-3-(2-methylpropyl)pyrazine
CID 44328049
Pyrazine, 2-decyl-3-ethoxy
CID 528299
Pyrazine, 2-heptyl-3-methoxy
CID 528304
Pyrazine, 3-ethoxy-2-octyl
CID 528314
Pyrazine, 3-ethoxy-2-pentyl
CID 528315
Pyrazine, 3-methoxy-2-octyl
CID 528320
2-Methoxy-3-(7-methyloctyl)pyrazine
CID 44327974
1-(5-Fluoro-3-methoxypyrazin-2-yl)hexan-1-ol
CID 11287622

Frequently Asked Questions

What is the IUPAC name of 4-(3-decylpyrazin-2-yl)oxybutan-1-ol?
The IUPAC name of 4-(3-decylpyrazin-2-yl)oxybutan-1-ol (CID 5273951) is 4-(3-decylpyrazin-2-yl)oxybutan-1-ol.
What is the SMILES notation for 4-(3-decylpyrazin-2-yl)oxybutan-1-ol?
The canonical SMILES for 4-(3-decylpyrazin-2-yl)oxybutan-1-ol is CCCCCCCCCCc1nccnc1OCCCCO.
What is the InChIKey of 4-(3-decylpyrazin-2-yl)oxybutan-1-ol?
The InChIKey is YQMCOPTVQLJERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-2-3-4-5-6-7-8-9-12-17-18(20-14-13-19-17)22-16-11-10-15-21/h13-14,21H,2-12,15-16H2,1H3.
What are the key properties of 4-(3-decylpyrazin-2-yl)oxybutan-1-ol?
4-(3-decylpyrazin-2-yl)oxybutan-1-ol has a molecular weight of 308.47 g/mol, XLogP of 4.31, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-decylpyrazin-2-yl)oxybutan-1-ol is sourced from PubChem (CID 5273951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).