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

C16H29NO2 — CID 5366188

IUPAC(6Z)-6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCC(O)CCC(C)/C=C1\CN2CCCC2C(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/b14-9-
InChIKeyJKLNTQRRLOXRDE-ZROIWOOFSA-N
MW267.41 g/mol
LogP2.33
Rot. Bonds4

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

(6Z)-6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol (PubChem CID 5366188) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (6Z)-6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol.

Molecular Properties

Compound Name(6Z)-6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
PubChem CID5366188
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(6Z)-6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCC(O)CCC(C)/C=C1\CN2CCCC2C(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/b14-9-
InChIKeyJKLNTQRRLOXRDE-ZROIWOOFSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The IUPAC name of (6Z)-6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol (CID 5366188) is (6Z)-6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol.
What is the SMILES notation for (6Z)-6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The canonical SMILES for (6Z)-6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol is CC(O)CCC(C)/C=C1\CN2CCCC2C(C)(O)C1.
What is the InChIKey of (6Z)-6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The InChIKey is JKLNTQRRLOXRDE-ZROIWOOFSA-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/b14-9-.
What are the key properties of (6Z)-6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
(6Z)-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 (6Z)-6-(5-hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol is sourced from PubChem (CID 5366188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).