11-ethyl-1,4,7-trioxa-11-azacyclotetradecane-9,13-diol

C12H25NO5 — CID 13128587

IUPAC11-ethyl-1,4,7-trioxa-11-azacyclotetradecane-9,13-diol
SMILESCCN1CC(O)COCCOCCOCC(O)C1
InChIInChI=1S/C12H25NO5/c1-2-13-7-11(14)9-17-5-3-16-4-6-18-10-12(15)8-13/h11-12,14-15H,2-10H2,1H3
InChIKeyQQDCGLXBNBETBB-UHFFFAOYSA-N
MW263.33 g/mol
LogP-0.91
Rot. Bonds1

About 11-ethyl-1,4,7-trioxa-11-azacyclotetradecane-9,13-diol

11-ethyl-1,4,7-trioxa-11-azacyclotetradecane-9,13-diol (PubChem CID 13128587) has the molecular formula C12H25NO5 and a molecular weight of 263.33 g/mol. Its IUPAC name is 11-ethyl-1,4,7-trioxa-11-azacyclotetradecane-9,13-diol.

Molecular Properties

Compound Name11-ethyl-1,4,7-trioxa-11-azacyclotetradecane-9,13-diol
PubChem CID13128587
Molecular FormulaC12H25NO5
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name11-ethyl-1,4,7-trioxa-11-azacyclotetradecane-9,13-diol
SMILESCCN1CC(O)COCCOCCOCC(O)C1
InChIInChI=1S/C12H25NO5/c1-2-13-7-11(14)9-17-5-3-16-4-6-18-10-12(15)8-13/h11-12,14-15H,2-10H2,1H3
InChIKeyQQDCGLXBNBETBB-UHFFFAOYSA-N
XLogP-0.91
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 11-ethyl-1,4,7-trioxa-11-azacyclotetradecane-9,13-diol?
The IUPAC name of 11-ethyl-1,4,7-trioxa-11-azacyclotetradecane-9,13-diol (CID 13128587) is 11-ethyl-1,4,7-trioxa-11-azacyclotetradecane-9,13-diol.
What is the SMILES notation for 11-ethyl-1,4,7-trioxa-11-azacyclotetradecane-9,13-diol?
The canonical SMILES for 11-ethyl-1,4,7-trioxa-11-azacyclotetradecane-9,13-diol is CCN1CC(O)COCCOCCOCC(O)C1.
What is the InChIKey of 11-ethyl-1,4,7-trioxa-11-azacyclotetradecane-9,13-diol?
The InChIKey is QQDCGLXBNBETBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO5/c1-2-13-7-11(14)9-17-5-3-16-4-6-18-10-12(15)8-13/h11-12,14-15H,2-10H2,1H3.
What are the key properties of 11-ethyl-1,4,7-trioxa-11-azacyclotetradecane-9,13-diol?
11-ethyl-1,4,7-trioxa-11-azacyclotetradecane-9,13-diol has a molecular weight of 263.33 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-1,4,7-trioxa-11-azacyclotetradecane-9,13-diol is sourced from PubChem (CID 13128587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).