(6Z)-6-(6-hydroxy-2,5-dimethyloctylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol

C19H35NO2 — CID 5366187

IUPAC(6Z)-6-(6-hydroxy-2,5-dimethyloctylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCCC(O)C(C)CCC(C)/C=C1\CN2CCCC2C(C)(O)C1
InChIInChI=1S/C19H35NO2/c1-5-17(21)15(3)9-8-14(2)11-16-12-19(4,22)18-7-6-10-20(18)13-16/h11,14-15,17-18,21-22H,5-10,12-13H2,1-4H3/b16-11-
InChIKeyJEYPKKDUOBDNHP-WJDWOHSUSA-N
MW309.49 g/mol
LogP3.36
Rot. Bonds6

About (6Z)-6-(6-hydroxy-2,5-dimethyloctylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol

(6Z)-6-(6-hydroxy-2,5-dimethyloctylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol (PubChem CID 5366187) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is (6Z)-6-(6-hydroxy-2,5-dimethyloctylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol.

Molecular Properties

Compound Name(6Z)-6-(6-hydroxy-2,5-dimethyloctylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
PubChem CID5366187
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Name(6Z)-6-(6-hydroxy-2,5-dimethyloctylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCCC(O)C(C)CCC(C)/C=C1\CN2CCCC2C(C)(O)C1
InChIInChI=1S/C19H35NO2/c1-5-17(21)15(3)9-8-14(2)11-16-12-19(4,22)18-7-6-10-20(18)13-16/h11,14-15,17-18,21-22H,5-10,12-13H2,1-4H3/b16-11-
InChIKeyJEYPKKDUOBDNHP-WJDWOHSUSA-N
XLogP3.36
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(6-hydroxy-2,5-dimethyloctylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The IUPAC name of (6Z)-6-(6-hydroxy-2,5-dimethyloctylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol (CID 5366187) is (6Z)-6-(6-hydroxy-2,5-dimethyloctylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol.
What is the SMILES notation for (6Z)-6-(6-hydroxy-2,5-dimethyloctylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The canonical SMILES for (6Z)-6-(6-hydroxy-2,5-dimethyloctylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol is CCC(O)C(C)CCC(C)/C=C1\CN2CCCC2C(C)(O)C1.
What is the InChIKey of (6Z)-6-(6-hydroxy-2,5-dimethyloctylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The InChIKey is JEYPKKDUOBDNHP-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H35NO2/c1-5-17(21)15(3)9-8-14(2)11-16-12-19(4,22)18-7-6-10-20(18)13-16/h11,14-15,17-18,21-22H,5-10,12-13H2,1-4H3/b16-11-.
What are the key properties of (6Z)-6-(6-hydroxy-2,5-dimethyloctylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
(6Z)-6-(6-hydroxy-2,5-dimethyloctylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol has a molecular weight of 309.49 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(6-hydroxy-2,5-dimethyloctylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol is sourced from PubChem (CID 5366187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).