(5-octan-2-yloxypyrazin-2-yl)methanol

C13H22N2O2 — CID 107373154

IUPAC(5-octan-2-yloxypyrazin-2-yl)methanol
SMILESCCCCCCC(C)Oc1cnc(CO)cn1
InChIInChI=1S/C13H22N2O2/c1-3-4-5-6-7-11(2)17-13-9-14-12(10-16)8-15-13/h8-9,11,16H,3-7,10H2,1-2H3
InChIKeyJCYVHWNVWMLGCC-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.71
Rot. Bonds8

About (5-octan-2-yloxypyrazin-2-yl)methanol

(5-octan-2-yloxypyrazin-2-yl)methanol (PubChem CID 107373154) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (5-octan-2-yloxypyrazin-2-yl)methanol.

Molecular Properties

Compound Name(5-octan-2-yloxypyrazin-2-yl)methanol
PubChem CID107373154
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(5-octan-2-yloxypyrazin-2-yl)methanol
SMILESCCCCCCC(C)Oc1cnc(CO)cn1
InChIInChI=1S/C13H22N2O2/c1-3-4-5-6-7-11(2)17-13-9-14-12(10-16)8-15-13/h8-9,11,16H,3-7,10H2,1-2H3
InChIKeyJCYVHWNVWMLGCC-UHFFFAOYSA-N
XLogP2.71
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.71
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

2-(4-dodecoxyphenyl)-5-[(2S)-octan-2-yl]oxypyrazine
CID 14365796
6-octan-2-yloxypyridine-3-carbonitrile
CID 43128061
(5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol
CID 61255716
(5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol
CID 114034696
5-pentan-2-yloxypyrazin-2-amine
CID 102988499
5-iodo-2-octan-2-yloxypyrimidine
CID 116649161
5-(octan-2-yloxymethyl)pyrazin-2-amine
CID 103058562
2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine
CID 18632504
(4-decoxyphenyl) 6-[(2S)-octan-2-yl]oxypyridine-3-carboxylate
CID 22845778
N-ethyl-6-octan-2-yloxypyrazin-2-amine
CID 80861950
2-ethoxy-6-octan-2-yloxypyridin-3-amine
CID 43262496
4-methyl-6-octan-2-yloxypyrimidin-2-amine
CID 80861387

Frequently Asked Questions

What is the IUPAC name of (5-octan-2-yloxypyrazin-2-yl)methanol?
The IUPAC name of (5-octan-2-yloxypyrazin-2-yl)methanol (CID 107373154) is (5-octan-2-yloxypyrazin-2-yl)methanol.
What is the SMILES notation for (5-octan-2-yloxypyrazin-2-yl)methanol?
The canonical SMILES for (5-octan-2-yloxypyrazin-2-yl)methanol is CCCCCCC(C)Oc1cnc(CO)cn1.
What is the InChIKey of (5-octan-2-yloxypyrazin-2-yl)methanol?
The InChIKey is JCYVHWNVWMLGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-4-5-6-7-11(2)17-13-9-14-12(10-16)8-15-13/h8-9,11,16H,3-7,10H2,1-2H3.
What are the key properties of (5-octan-2-yloxypyrazin-2-yl)methanol?
(5-octan-2-yloxypyrazin-2-yl)methanol has a molecular weight of 238.33 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-octan-2-yloxypyrazin-2-yl)methanol is sourced from PubChem (CID 107373154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).