5,11,17-trimethyl-1,3,7,9,13,15-hexaoxa-5,11,17-triazacyclooctadecane

C12H27N3O6 — CID 142944841

IUPAC5,11,17-trimethyl-1,3,7,9,13,15-hexaoxa-5,11,17-triazacyclooctadecane
SMILESCN1COCOCN(C)COCOCN(C)COCOC1
InChIInChI=1S/C12H27N3O6/c1-13-4-16-10-18-6-14(2)8-20-12-21-9-15(3)7-19-11-17-5-13/h4-12H2,1-3H3
InChIKeyIRQPYEMRUPOCAT-UHFFFAOYSA-N
MW309.36 g/mol
LogP-0.49
Rot. Bonds

About 5,11,17-trimethyl-1,3,7,9,13,15-hexaoxa-5,11,17-triazacyclooctadecane

5,11,17-trimethyl-1,3,7,9,13,15-hexaoxa-5,11,17-triazacyclooctadecane (PubChem CID 142944841) has the molecular formula C12H27N3O6 and a molecular weight of 309.36 g/mol. Its IUPAC name is 5,11,17-trimethyl-1,3,7,9,13,15-hexaoxa-5,11,17-triazacyclooctadecane.

Molecular Properties

Compound Name5,11,17-trimethyl-1,3,7,9,13,15-hexaoxa-5,11,17-triazacyclooctadecane
PubChem CID142944841
Molecular FormulaC12H27N3O6
Molecular Weight309.36 g/mol
Exact Mass309.19
IUPAC Name5,11,17-trimethyl-1,3,7,9,13,15-hexaoxa-5,11,17-triazacyclooctadecane
SMILESCN1COCOCN(C)COCOCN(C)COCOC1
InChIInChI=1S/C12H27N3O6/c1-13-4-16-10-18-6-14(2)8-20-12-21-9-15(3)7-19-11-17-5-13/h4-12H2,1-3H3
InChIKeyIRQPYEMRUPOCAT-UHFFFAOYSA-N
XLogP-0.49
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5,11,17-trimethyl-1,3,7,9,13,15-hexaoxa-5,11,17-triazacyclooctadecane with MolForge

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Related Compounds

Dimethoxymethyl(trimethyl)azanium
CID 88473243
1-[(dimethylamino)methoxymethoxy]-N,N-dimethylmethanamine
CID 15617033
1-(methoxymethoxy)-N,N-bis(methoxymethoxymethyl)methanamine
CID 23435146
N,N-bis(dimethoxymethyl)-1,1-dimethoxymethanamine
CID 88007130
Methoxymethyl carbonate;tetramethylazanium
CID 139845998
1-(methoxymethoxy)-N-(methoxymethoxymethyl)-N-methylmethanamine
CID 140023555
1-[[[methoxymethoxymethyl(methyl)amino]methoxymethoxymethyl-methylamino]methoxymethoxy]-N,N-dimethylmethanamine
CID 142944847
methane;1-(methoxymethoxymethoxy)-N,N-dimethylmethanamine
CID 157829245
CID 158586335
CID 158586335
1,1-dimethoxy-N,N-dimethylmethanamine;methane
CID 161880628
(Dimethylamino)methoxycarbonyloxymethyl-trimethylazanium
CID 163779469
azane;1,1-dimethoxy-N,N-dimethylmethanamine
CID 172780001

Frequently Asked Questions

What is the IUPAC name of 5,11,17-trimethyl-1,3,7,9,13,15-hexaoxa-5,11,17-triazacyclooctadecane?
The IUPAC name of 5,11,17-trimethyl-1,3,7,9,13,15-hexaoxa-5,11,17-triazacyclooctadecane (CID 142944841) is 5,11,17-trimethyl-1,3,7,9,13,15-hexaoxa-5,11,17-triazacyclooctadecane.
What is the SMILES notation for 5,11,17-trimethyl-1,3,7,9,13,15-hexaoxa-5,11,17-triazacyclooctadecane?
The canonical SMILES for 5,11,17-trimethyl-1,3,7,9,13,15-hexaoxa-5,11,17-triazacyclooctadecane is CN1COCOCN(C)COCOCN(C)COCOC1.
What is the InChIKey of 5,11,17-trimethyl-1,3,7,9,13,15-hexaoxa-5,11,17-triazacyclooctadecane?
The InChIKey is IRQPYEMRUPOCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O6/c1-13-4-16-10-18-6-14(2)8-20-12-21-9-15(3)7-19-11-17-5-13/h4-12H2,1-3H3.
What are the key properties of 5,11,17-trimethyl-1,3,7,9,13,15-hexaoxa-5,11,17-triazacyclooctadecane?
5,11,17-trimethyl-1,3,7,9,13,15-hexaoxa-5,11,17-triazacyclooctadecane has a molecular weight of 309.36 g/mol, XLogP of -0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17-trimethyl-1,3,7,9,13,15-hexaoxa-5,11,17-triazacyclooctadecane is sourced from PubChem (CID 142944841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).