(6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyloctylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol

C18H33NO — CID 10356275

IUPAC(6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyloctylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCCCCCC[C@@H](C)/C=C1\CN2CCC[C@H]2[C@@](C)(O)C1
InChIInChI=1S/C18H33NO/c1-4-5-6-7-9-15(2)12-16-13-18(3,20)17-10-8-11-19(17)14-16/h12,15,17,20H,4-11,13-14H2,1-3H3/b16-12-/t15-,17+,18+/m1/s1
InChIKeyRUOLMGVAIIHMHA-JSONFYCNSA-N
MW279.47 g/mol
LogP4.14
Rot. Bonds6

About (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyloctylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol

(6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyloctylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol (PubChem CID 10356275) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyloctylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol.

Molecular Properties

Compound Name(6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyloctylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
PubChem CID10356275
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name(6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyloctylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESCCCCCC[C@@H](C)/C=C1\CN2CCC[C@H]2[C@@](C)(O)C1
InChIInChI=1S/C18H33NO/c1-4-5-6-7-9-15(2)12-16-13-18(3,20)17-10-8-11-19(17)14-16/h12,15,17,20H,4-11,13-14H2,1-3H3/b16-12-/t15-,17+,18+/m1/s1
InChIKeyRUOLMGVAIIHMHA-JSONFYCNSA-N
XLogP4.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyloctylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol with MolForge

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Related Compounds

(2S)-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid
CID 102411340
3,3-dimethyl-1-octan-2-ylpiperidin-4-amine
CID 114267629
cis-(1R,3S)-2-[(2R,6S)-2,6-dimethyl-4-pent-2-en-3-ylcyclohexyl]-1,3-dimethyl-5-[(2S)-2-methylheptylidene]cyclohexane
CID 91452398
(2S,6S)-6-hydroxy-2-methyldodecanal
CID 101186421
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
decane;dodecane-1,1-diol
CID 162011285
nonacosane-1,1-diol
CID 23066924
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
(1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol
CID 11041373
(8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 101105424
(Dodecan-2-yl)(dimethyl)silane
CID 78068133
1-octan-2-ylpyrrolidine-2-carboxylic acid
CID 65056476

Frequently Asked Questions

What is the IUPAC name of (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyloctylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The IUPAC name of (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyloctylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol (CID 10356275) is (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyloctylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol.
What is the SMILES notation for (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyloctylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The canonical SMILES for (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyloctylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol is CCCCCC[C@@H](C)/C=C1\CN2CCC[C@H]2[C@@](C)(O)C1.
What is the InChIKey of (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyloctylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The InChIKey is RUOLMGVAIIHMHA-JSONFYCNSA-N. The full InChI is InChI=1S/C18H33NO/c1-4-5-6-7-9-15(2)12-16-13-18(3,20)17-10-8-11-19(17)14-16/h12,15,17,20H,4-11,13-14H2,1-3H3/b16-12-/t15-,17+,18+/m1/s1.
What are the key properties of (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyloctylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
(6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyloctylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol has a molecular weight of 279.47 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methyloctylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol is sourced from PubChem (CID 10356275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).