(8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)octan-3-ol

C19H35NO — CID 91721005

IUPAC(8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)octan-3-ol
SMILESCCC(O)C(C)CCC(C)/C=C1/CC(C)C2CCCN2C1
InChIInChI=1S/C19H35NO/c1-5-19(21)15(3)9-8-14(2)11-17-12-16(4)18-7-6-10-20(18)13-17/h11,14-16,18-19,21H,5-10,12-13H2,1-4H3/b17-11-
InChIKeyZJXPTEQQYIODOP-BOPFTXTBSA-N
MW293.50 g/mol
LogP4.24
Rot. Bonds6

About (8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)octan-3-ol

(8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)octan-3-ol (PubChem CID 91721005) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is (8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)octan-3-ol.

Molecular Properties

Compound Name(8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)octan-3-ol
PubChem CID91721005
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name(8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)octan-3-ol
SMILESCCC(O)C(C)CCC(C)/C=C1/CC(C)C2CCCN2C1
InChIInChI=1S/C19H35NO/c1-5-19(21)15(3)9-8-14(2)11-17-12-16(4)18-7-6-10-20(18)13-17/h11,14-16,18-19,21H,5-10,12-13H2,1-4H3/b17-11-
InChIKeyZJXPTEQQYIODOP-BOPFTXTBSA-N
XLogP4.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6Z,8S,8aS)-6-[(2R)-5-hydroxy-2-methylhexylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 13995831
Pumiliotoxin 309a
CID 5366187
(8S,8aS,Z)-6-((2R)-5-Hydroxy-2-methylhexylidene)-8-methyloctahydroindolizin-8-ol
CID 5366188
(6R,Z)-6-Methyl-7-((8R,8aS)-8-methylhexahydroindolizin-6(5H)-ylidene)heptane-2,3-diol
CID 91695465
(Z)-9-((5R,8R,8aS)-8-Methyloctahydroindolizin-5-yl)non-5-en-2-ol
CID 91716154
(5R,Z)-5-Methyl-6-((8R,8aS)-8-methylhexahydroindolizin-6(5H)-ylidene)hexan-2-ol
CID 91721003
(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
(8S,8aS,Z)-6-((R)-7-Hydroxy-2-methylheptylidene)-8-methyloctahydroindolizin-8-ol
CID 91724244
6-(5-Hydroxy-2-methylhexylidene)-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 551093
(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

Frequently Asked Questions

What is the IUPAC name of (8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)octan-3-ol?
The IUPAC name of (8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)octan-3-ol (CID 91721005) is (8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)octan-3-ol.
What is the SMILES notation for (8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)octan-3-ol?
The canonical SMILES for (8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)octan-3-ol is CCC(O)C(C)CCC(C)/C=C1/CC(C)C2CCCN2C1.
What is the InChIKey of (8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)octan-3-ol?
The InChIKey is ZJXPTEQQYIODOP-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H35NO/c1-5-19(21)15(3)9-8-14(2)11-17-12-16(4)18-7-6-10-20(18)13-17/h11,14-16,18-19,21H,5-10,12-13H2,1-4H3/b17-11-.
What are the key properties of (8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)octan-3-ol?
(8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)octan-3-ol has a molecular weight of 293.50 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-4,7-dimethyl-8-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)octan-3-ol is sourced from PubChem (CID 91721005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).