1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde

C11H21NO5 — CID 86143378

IUPAC1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde
SMILESO=CN1CCOCCOCCOCCOCC1
InChIInChI=1S/C11H21NO5/c13-11-12-1-3-14-5-7-16-9-10-17-8-6-15-4-2-12/h11H,1-10H2
InChIKeyZJSAYAJAJIGAFI-UHFFFAOYSA-N
MW247.29 g/mol
LogP-0.48
Rot. Bonds1

About 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde

1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde (PubChem CID 86143378) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde.

Molecular Properties

Compound Name1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde
PubChem CID86143378
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde
SMILESO=CN1CCOCCOCCOCCOCC1
InChIInChI=1S/C11H21NO5/c13-11-12-1-3-14-5-7-16-9-10-17-8-6-15-4-2-12/h11H,1-10H2
InChIKeyZJSAYAJAJIGAFI-UHFFFAOYSA-N
XLogP-0.48
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde?
The IUPAC name of 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde (CID 86143378) is 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde.
What is the SMILES notation for 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde?
The canonical SMILES for 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde is O=CN1CCOCCOCCOCCOCC1.
What is the InChIKey of 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde?
The InChIKey is ZJSAYAJAJIGAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c13-11-12-1-3-14-5-7-16-9-10-17-8-6-15-4-2-12/h11H,1-10H2.
What are the key properties of 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde?
1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde has a molecular weight of 247.29 g/mol, XLogP of -0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde is sourced from PubChem (CID 86143378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).