methyl 5-(1,5-dimethyltriazol-4-yl)-8-hydroxyoctanoate

C13H23N3O3 — CID 71127313

IUPACmethyl 5-(1,5-dimethyltriazol-4-yl)-8-hydroxyoctanoate
SMILESCOC(=O)CCCC(CCCO)c1nnn(C)c1C
InChIInChI=1S/C13H23N3O3/c1-10-13(14-15-16(10)2)11(7-5-9-17)6-4-8-12(18)19-3/h11,17H,4-9H2,1-3H3
InChIKeyGLDHEXLCOUIGRT-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.32
Rot. Bonds8

About methyl 5-(1,5-dimethyltriazol-4-yl)-8-hydroxyoctanoate

methyl 5-(1,5-dimethyltriazol-4-yl)-8-hydroxyoctanoate (PubChem CID 71127313) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 5-(1,5-dimethyltriazol-4-yl)-8-hydroxyoctanoate.

Molecular Properties

Compound Namemethyl 5-(1,5-dimethyltriazol-4-yl)-8-hydroxyoctanoate
PubChem CID71127313
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Namemethyl 5-(1,5-dimethyltriazol-4-yl)-8-hydroxyoctanoate
SMILESCOC(=O)CCCC(CCCO)c1nnn(C)c1C
InChIInChI=1S/C13H23N3O3/c1-10-13(14-15-16(10)2)11(7-5-9-17)6-4-8-12(18)19-3/h11,17H,4-9H2,1-3H3
InChIKeyGLDHEXLCOUIGRT-UHFFFAOYSA-N
XLogP1.32
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1,5-dimethyltriazol-4-yl)-8-hydroxyoctanoate?
The IUPAC name of methyl 5-(1,5-dimethyltriazol-4-yl)-8-hydroxyoctanoate (CID 71127313) is methyl 5-(1,5-dimethyltriazol-4-yl)-8-hydroxyoctanoate.
What is the SMILES notation for methyl 5-(1,5-dimethyltriazol-4-yl)-8-hydroxyoctanoate?
The canonical SMILES for methyl 5-(1,5-dimethyltriazol-4-yl)-8-hydroxyoctanoate is COC(=O)CCCC(CCCO)c1nnn(C)c1C.
What is the InChIKey of methyl 5-(1,5-dimethyltriazol-4-yl)-8-hydroxyoctanoate?
The InChIKey is GLDHEXLCOUIGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10-13(14-15-16(10)2)11(7-5-9-17)6-4-8-12(18)19-3/h11,17H,4-9H2,1-3H3.
What are the key properties of methyl 5-(1,5-dimethyltriazol-4-yl)-8-hydroxyoctanoate?
methyl 5-(1,5-dimethyltriazol-4-yl)-8-hydroxyoctanoate has a molecular weight of 269.34 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1,5-dimethyltriazol-4-yl)-8-hydroxyoctanoate is sourced from PubChem (CID 71127313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).