1,4,10-trioxa-7-azacyclohexadecane

C12H25NO3 — CID 171348243

IUPAC1,4,10-trioxa-7-azacyclohexadecane
SMILESC1CCCOCCOCCNCCOCC1
InChIInChI=1S/C12H25NO3/c1-2-4-8-15-11-12-16-10-6-13-5-9-14-7-3-1/h13H,1-12H2
InChIKeyREHPQBGJMYPSQY-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.20
Rot. Bonds

About 1,4,10-trioxa-7-azacyclohexadecane

1,4,10-trioxa-7-azacyclohexadecane (PubChem CID 171348243) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1,4,10-trioxa-7-azacyclohexadecane.

Molecular Properties

Compound Name1,4,10-trioxa-7-azacyclohexadecane
PubChem CID171348243
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1,4,10-trioxa-7-azacyclohexadecane
SMILESC1CCCOCCOCCNCCOCC1
InChIInChI=1S/C12H25NO3/c1-2-4-8-15-11-12-16-10-6-13-5-9-14-7-3-1/h13H,1-12H2
InChIKeyREHPQBGJMYPSQY-UHFFFAOYSA-N
XLogP1.20
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4,10-trioxa-7-azacyclohexadecane?
The IUPAC name of 1,4,10-trioxa-7-azacyclohexadecane (CID 171348243) is 1,4,10-trioxa-7-azacyclohexadecane.
What is the SMILES notation for 1,4,10-trioxa-7-azacyclohexadecane?
The canonical SMILES for 1,4,10-trioxa-7-azacyclohexadecane is C1CCCOCCOCCNCCOCC1.
What is the InChIKey of 1,4,10-trioxa-7-azacyclohexadecane?
The InChIKey is REHPQBGJMYPSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-2-4-8-15-11-12-16-10-6-13-5-9-14-7-3-1/h13H,1-12H2.
What are the key properties of 1,4,10-trioxa-7-azacyclohexadecane?
1,4,10-trioxa-7-azacyclohexadecane has a molecular weight of 231.34 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,10-trioxa-7-azacyclohexadecane is sourced from PubChem (CID 171348243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).