(Z)-9-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)non-5-en-2-ol

C18H33NO — CID 91716154

IUPAC(Z)-9-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)non-5-en-2-ol
SMILESCC(O)CC/C=C\CCCC1CCC(C)C2CCCN12
InChIInChI=1S/C18H33NO/c1-15-12-13-17(19-14-8-11-18(15)19)10-7-5-3-4-6-9-16(2)20/h3-4,15-18,20H,5-14H2,1-2H3/b4-3-
InChIKeyDKWNJQWJTACGJL-ARJAWSKDSA-N
MW279.47 g/mol
LogP4.14
Rot. Bonds7

About (Z)-9-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)non-5-en-2-ol

(Z)-9-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)non-5-en-2-ol (PubChem CID 91716154) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is (Z)-9-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)non-5-en-2-ol.

Molecular Properties

Compound Name(Z)-9-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)non-5-en-2-ol
PubChem CID91716154
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name(Z)-9-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)non-5-en-2-ol
SMILESCC(O)CC/C=C\CCCC1CCC(C)C2CCCN12
InChIInChI=1S/C18H33NO/c1-15-12-13-17(19-14-8-11-18(15)19)10-7-5-3-4-6-9-16(2)20/h3-4,15-18,20H,5-14H2,1-2H3/b4-3-
InChIKeyDKWNJQWJTACGJL-ARJAWSKDSA-N
XLogP4.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 (Z)-9-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)non-5-en-2-ol with MolForge

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Related Compounds

(E)-7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)hept-3-en-2-ol
CID 5372435
(Z)-7-[(5R,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]hept-3-en-2-ol
CID 14863810
(6R,Z)-6-Methyl-7-((8R,8aS)-8-methylhexahydroindolizin-6(5H)-ylidene)heptane-2,3-diol
CID 91695465
(3Z)-7-(8-Methyloctahydro-5-indolizinyl)-3-hepten-2-ol
CID 91715955
(5R,Z)-5-Methyl-6-((8R,8aS)-8-methylhexahydroindolizin-6(5H)-ylidene)hexan-2-ol
CID 91721003
(7R,Z)-4,7-Dimethyl-8-((8R,8aS)-8-methylhexahydroindolizin-6(5H)-ylidene)octan-3-ol
CID 91721005
(4E,7R,8Z)-4,7-Dimethyl-8-((8R,8aS)-8-methylhexahydroindolizin-6(5H)-ylidene)oct-4-en-3-ol
CID 91721015
(6R,Z)-6-Methyl-7-((8R,8aS)-8-methylhexahydroindolizin-6(5H)-ylidene)heptan-2-ol
CID 91721043
7-(8-Methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)hept-3-en-2-ol
CID 586765
(1R,4R,5R,6S,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-ol
CID 56600816
5-methyl-6-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)hexan-2-ol
CID 86181485
7-(8-Ethyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)hept-6-en-1-yne-3,4-diol
CID 162955928

Frequently Asked Questions

What is the IUPAC name of (Z)-9-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)non-5-en-2-ol?
The IUPAC name of (Z)-9-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)non-5-en-2-ol (CID 91716154) is (Z)-9-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)non-5-en-2-ol.
What is the SMILES notation for (Z)-9-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)non-5-en-2-ol?
The canonical SMILES for (Z)-9-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)non-5-en-2-ol is CC(O)CC/C=C\CCCC1CCC(C)C2CCCN12.
What is the InChIKey of (Z)-9-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)non-5-en-2-ol?
The InChIKey is DKWNJQWJTACGJL-ARJAWSKDSA-N. The full InChI is InChI=1S/C18H33NO/c1-15-12-13-17(19-14-8-11-18(15)19)10-7-5-3-4-6-9-16(2)20/h3-4,15-18,20H,5-14H2,1-2H3/b4-3-.
What are the key properties of (Z)-9-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)non-5-en-2-ol?
(Z)-9-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)non-5-en-2-ol has a molecular weight of 279.47 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)non-5-en-2-ol is sourced from PubChem (CID 91716154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).