6,8-bis[(Z)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride

C30H50ClN — CID 54753646

IUPAC6,8-bis[(Z)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride
SMILESCCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2.[Cl-]
InChIInChI=1S/C30H50N.ClH/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2;/h19-20,22-23H,5-18,21,24-25H2,1-4H3;1H/q+1;/p-1/b22-19-,23-20-;
InChIKeyOMROJUVOEABBEY-HDZLQULISA-M
MW460.19 g/mol
LogP6.07
Rot. Bonds16

About 6,8-bis[(Z)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride

6,8-bis[(Z)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride (PubChem CID 54753646) has the molecular formula C30H50ClN and a molecular weight of 460.19 g/mol. Its IUPAC name is 6,8-bis[(Z)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride.

Molecular Properties

Compound Name6,8-bis[(Z)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride
PubChem CID54753646
Molecular FormulaC30H50ClN
Molecular Weight460.19 g/mol
Exact Mass459.36
IUPAC Name6,8-bis[(Z)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride
SMILESCCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2.[Cl-]
InChIInChI=1S/C30H50N.ClH/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2;/h19-20,22-23H,5-18,21,24-25H2,1-4H3;1H/q+1;/p-1/b22-19-,23-20-;
InChIKeyOMROJUVOEABBEY-HDZLQULISA-M
XLogP6.07
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.19
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,8-bis[(Z)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride?
The IUPAC name of 6,8-bis[(Z)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride (CID 54753646) is 6,8-bis[(Z)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride.
What is the SMILES notation for 6,8-bis[(Z)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride?
The canonical SMILES for 6,8-bis[(Z)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride is CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2.[Cl-].
What is the InChIKey of 6,8-bis[(Z)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride?
The InChIKey is OMROJUVOEABBEY-HDZLQULISA-M. The full InChI is InChI=1S/C30H50N.ClH/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2;/h19-20,22-23H,5-18,21,24-25H2,1-4H3;1H/q+1;/p-1/b22-19-,23-20-;.
What are the key properties of 6,8-bis[(Z)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride?
6,8-bis[(Z)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride has a molecular weight of 460.19 g/mol, XLogP of 6.07, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-bis[(Z)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride is sourced from PubChem (CID 54753646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).