2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-butyl-4-methylpiperazin-4-ium-1-yl)propanoate

C70H139N2O22+ — CID 90259908

IUPAC2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-butyl-4-methylpiperazin-4-ium-1-yl)propanoate
SMILESCCCCCCCC/C=C\CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)CCN1CC[N+](C)(CCCC)CC1
InChIInChI=1S/C70H139N2O22/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29-74-30-31-75-32-33-76-34-35-77-36-37-78-38-39-79-40-41-80-42-43-81-44-45-82-46-47-83-48-49-84-50-51-85-52-53-86-54-55-87-56-57-88-58-59-89-60-61-90-62-63-91-64-65-92-66-67-93-68-69-94-70(73)22-23-71-24-27-72(3,28-25-71)26-7-5-2/h13-14H,4-12,15-69H2,1-3H3/q+1/b14-13-
InChIKeyGRSVRIHSNPZVAH-YPKPFQOOSA-N
MW1360.87 g/mol
LogP7.85
Rot. Bonds82

About 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-butyl-4-methylpiperazin-4-ium-1-yl)propanoate

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-butyl-4-methylpiperazin-4-ium-1-yl)propanoate (PubChem CID 90259908) has the molecular formula C70H139N2O22+ and a molecular weight of 1360.87 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-butyl-4-methylpiperazin-4-ium-1-yl)propanoate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-butyl-4-methylpiperazin-4-ium-1-yl)propanoate
PubChem CID90259908
Molecular FormulaC70H139N2O22+
Molecular Weight1360.87 g/mol
Exact Mass1359.98
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-butyl-4-methylpiperazin-4-ium-1-yl)propanoate
SMILESCCCCCCCC/C=C\CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)CCN1CC[N+](C)(CCCC)CC1
InChIInChI=1S/C70H139N2O22/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29-74-30-31-75-32-33-76-34-35-77-36-37-78-38-39-79-40-41-80-42-43-81-44-45-82-46-47-83-48-49-84-50-51-85-52-53-86-54-55-87-56-57-88-58-59-89-60-61-90-62-63-91-64-65-92-66-67-93-68-69-94-70(73)22-23-71-24-27-72(3,28-25-71)26-7-5-2/h13-14H,4-12,15-69H2,1-3H3/q+1/b14-13-
InChIKeyGRSVRIHSNPZVAH-YPKPFQOOSA-N
XLogP7.85
TPSA214.14 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds82
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001360.87
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-butyl-4-methylpiperazin-4-ium-1-yl)propanoate with MolForge

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-butyl-4-methylpiperazin-4-ium-1-yl)propanoate
CID 90259523
2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethyl 3-(4-butyl-4-methylpiperazin-4-ium-1-yl)propanoate bromide
CID 90259783
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-methylpiperazin-1-yl)propanoate
CID 90259776
2-[4-methyl-4-(2-octadecanoyloxyethyl)piperazin-4-ium-1-yl]ethyl octadecanoate
CID 21117794
2-(2-propoxyethoxy)ethyl (Z)-octadec-9-enoate
CID 88956747
2-piperidin-1-ylethyl (Z)-octadec-9-enoate
CID 90811222
bis[(E)-tridec-5-enyl] butanedioate
CID 101280853
bis[(E)-tridec-6-enyl] butanedioate
CID 101280854
2-[2-(2-hydroxyethoxy)ethoxy]ethyl (E)-octadec-9-enoate
CID 22179243
2-(2-dodecanoyloxyethoxy)ethyl dodecanoate;(Z)-octadec-9-enoic acid
CID 161339452
dodecyl 3-piperidin-1-ylpropanoate
CID 91554899
4-[(Z)-octadec-9-enoyl]oxybutyl (Z)-octadec-9-enoate
CID 87250658

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-butyl-4-methylpiperazin-4-ium-1-yl)propanoate?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-butyl-4-methylpiperazin-4-ium-1-yl)propanoate (CID 90259908) is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-butyl-4-methylpiperazin-4-ium-1-yl)propanoate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-butyl-4-methylpiperazin-4-ium-1-yl)propanoate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-butyl-4-methylpiperazin-4-ium-1-yl)propanoate is CCCCCCCC/C=C\CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)CCN1CC[N+](C)(CCCC)CC1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-butyl-4-methylpiperazin-4-ium-1-yl)propanoate?
The InChIKey is GRSVRIHSNPZVAH-YPKPFQOOSA-N. The full InChI is InChI=1S/C70H139N2O22/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29-74-30-31-75-32-33-76-34-35-77-36-37-78-38-39-79-40-41-80-42-43-81-44-45-82-46-47-83-48-49-84-50-51-85-52-53-86-54-55-87-56-57-88-58-59-89-60-61-90-62-63-91-64-65-92-66-67-93-68-69-94-70(73)22-23-71-24-27-72(3,28-25-71)26-7-5-2/h13-14H,4-12,15-69H2,1-3H3/q+1/b14-13-.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-butyl-4-methylpiperazin-4-ium-1-yl)propanoate?
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-butyl-4-methylpiperazin-4-ium-1-yl)propanoate has a molecular weight of 1360.87 g/mol, XLogP of 7.85, 82 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-butyl-4-methylpiperazin-4-ium-1-yl)propanoate is sourced from PubChem (CID 90259908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).