13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane

C22H46N2O8 — CID 14910697

IUPAC13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
SMILESCOCCOCCN1CCOCCOCCOCCOCCN(CCOCCOC)CC1
InChIInChI=1S/C22H46N2O8/c1-25-13-15-27-9-5-23-3-4-24(6-10-28-16-14-26-2)8-12-30-18-20-32-22-21-31-19-17-29-11-7-23/h3-22H2,1-2H3
InChIKeyOVOHQYPRMILBMZ-UHFFFAOYSA-N
MW466.62 g/mol
LogP-0.00
Rot. Bonds12

About 13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane

13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane (PubChem CID 14910697) has the molecular formula C22H46N2O8 and a molecular weight of 466.62 g/mol. Its IUPAC name is 13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane.

Molecular Properties

Compound Name13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
PubChem CID14910697
Molecular FormulaC22H46N2O8
Molecular Weight466.62 g/mol
Exact Mass466.33
IUPAC Name13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
SMILESCOCCOCCN1CCOCCOCCOCCOCCN(CCOCCOC)CC1
InChIInChI=1S/C22H46N2O8/c1-25-13-15-27-9-5-23-3-4-24(6-10-28-16-14-26-2)8-12-30-18-20-32-22-21-31-19-17-29-11-7-23/h3-22H2,1-2H3
InChIKeyOVOHQYPRMILBMZ-UHFFFAOYSA-N
XLogP-0.00
TPSA80.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.62
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424
ethane;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]morpholine
CID 143677740
2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine
CID 11060427
ethane;4-(2-propoxyethyl)morpholine
CID 154661305
4-(2-ethoxyethyl)morpholine;hydrobromide
CID 173067075
2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate
CID 147517503
8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 79885602
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111405835
2-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 103606858
2-methyl-1-(2-morpholin-4-ylethoxy)propan-2-amine
CID 64537619
2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid
CID 104564764
4-(2-hexoxyethyl)morpholine
CID 3326674

Frequently Asked Questions

What is the IUPAC name of 13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane?
The IUPAC name of 13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane (CID 14910697) is 13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane.
What is the SMILES notation for 13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane?
The canonical SMILES for 13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane is COCCOCCN1CCOCCOCCOCCOCCN(CCOCCOC)CC1.
What is the InChIKey of 13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane?
The InChIKey is OVOHQYPRMILBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2O8/c1-25-13-15-27-9-5-23-3-4-24(6-10-28-16-14-26-2)8-12-30-18-20-32-22-21-31-19-17-29-11-7-23/h3-22H2,1-2H3.
What are the key properties of 13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane?
13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane has a molecular weight of 466.62 g/mol, XLogP of -0.00, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane is sourced from PubChem (CID 14910697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).