1,6,11-trioxa-2-azacyclotetradecane

C10H21NO3 — CID 123910294

IUPAC1,6,11-trioxa-2-azacyclotetradecane
SMILESC1CCOCCCONCCCOC1
InChIInChI=1S/C10H21NO3/c1-2-7-13-9-4-10-14-11-5-3-8-12-6-1/h11H,1-10H2
InChIKeyNSYMLXXBOAJDOJ-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.11
Rot. Bonds

About 1,6,11-trioxa-2-azacyclotetradecane

1,6,11-trioxa-2-azacyclotetradecane (PubChem CID 123910294) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 1,6,11-trioxa-2-azacyclotetradecane.

Molecular Properties

Compound Name1,6,11-trioxa-2-azacyclotetradecane
PubChem CID123910294
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1,6,11-trioxa-2-azacyclotetradecane
SMILESC1CCOCCCONCCCOC1
InChIInChI=1S/C10H21NO3/c1-2-7-13-9-4-10-14-11-5-3-8-12-6-1/h11H,1-10H2
InChIKeyNSYMLXXBOAJDOJ-UHFFFAOYSA-N
XLogP1.11
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6,11-trioxa-2-azacyclotetradecane?
The IUPAC name of 1,6,11-trioxa-2-azacyclotetradecane (CID 123910294) is 1,6,11-trioxa-2-azacyclotetradecane.
What is the SMILES notation for 1,6,11-trioxa-2-azacyclotetradecane?
The canonical SMILES for 1,6,11-trioxa-2-azacyclotetradecane is C1CCOCCCONCCCOC1.
What is the InChIKey of 1,6,11-trioxa-2-azacyclotetradecane?
The InChIKey is NSYMLXXBOAJDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-2-7-13-9-4-10-14-11-5-3-8-12-6-1/h11H,1-10H2.
What are the key properties of 1,6,11-trioxa-2-azacyclotetradecane?
1,6,11-trioxa-2-azacyclotetradecane has a molecular weight of 203.28 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,11-trioxa-2-azacyclotetradecane is sourced from PubChem (CID 123910294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).