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

C16H29NO2 — CID 551093

IUPAC6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCC(O)CCC(C)C=C1CN2CCCC2C(C)(O)C1
InChIInChI=1S/C16H29NO2/c1-12(6-7-13(2)18)9-14-10-16(3,19)15-5-4-8-17(15)11-14/h9,12-13,15,18-19H,4-8,10-11H2,1-3H3
InChIKeyJKLNTQRRLOXRDE-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.33
Rot. Bonds4

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

6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol (PubChem CID 551093) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol.

Molecular Properties

Compound Name6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
PubChem CID551093
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCC(O)CCC(C)C=C1CN2CCCC2C(C)(O)C1
InChIInChI=1S/C16H29NO2/c1-12(6-7-13(2)18)9-14-10-16(3,19)15-5-4-8-17(15)11-14/h9,12-13,15,18-19H,4-8,10-11H2,1-3H3
InChIKeyJKLNTQRRLOXRDE-UHFFFAOYSA-N
XLogP2.33
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol with MolForge

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Related Compounds

Pumiliotoxin 251D
CID 6440480
(+)-Allopumiliotoxin 267A
CID 5470308
Pumiliotoxin B
CID 11393144
4-Octene-2,3-diol, 8-((8S,8aS)-hexahydro-8-hydroxy-8-methyl-6(5H)-indolizinylidene)-4,7-dimethyl-, (2R,3R,4E,7R,8Z)-
CID 6437355
Pumiliotoxin A
CID 10979740
8-Indolizinol, octahydro-6-(6-hydroxy-2,5-dimethyl-4-octenylidene)-8-methyl-, (8S-(6Z(2S*,4E,6R*),8-alpha,8a-beta))-
CID 6434971
(6E,7R,8R,8aS)-6-[(E,2R,6R,7R)-6,7-dihydroxy-2,5-dimethyloct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
CID 11046066
(6E,7R,8R,8aS)-6-[(E,2R,6S)-6-hydroxy-2,5-dimethyloct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
CID 11461473
(6Z,8S,8aS)-6-[(2R)-5-hydroxy-2-methylhexylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 13995831
(+)-Allopumiliotoxin 339B
CID 6442501
(6Z,8S,8aS)-6-[(2R)-4-hydroxy-2-methylbutylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 13921284
(6Z,8S,8aS)-6-[(2S)-4-hydroxy-2-methylbutylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 13921285

Frequently Asked Questions

What is the IUPAC name of 6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The IUPAC name of 6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol (CID 551093) is 6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol.
What is the SMILES notation for 6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The canonical SMILES for 6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol is CC(O)CCC(C)C=C1CN2CCCC2C(C)(O)C1.
What is the InChIKey of 6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The InChIKey is JKLNTQRRLOXRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-12(6-7-13(2)18)9-14-10-16(3,19)15-5-4-8-17(15)11-14/h9,12-13,15,18-19H,4-8,10-11H2,1-3H3.
What are the key properties of 6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol has a molecular weight of 267.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol is sourced from PubChem (CID 551093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).