1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadecane;1,4,7,10,13-pentaoxa-16-thiacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane;1,4,7,13-tetraoxa-10,16-dithiacyclooctadecane;1,4,7,10-tetraoxa-13-thiacyclopentadecane;1,4,7-trioxa-10,13-dithiacyclopentadecane;1,4,10-trioxa-7,13-dithiacyclopentadecane;1,4,7-trioxonane

C104H210N2O40S10 — CID 158126715

About 1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadecane;1,4,7,10,13-pentaoxa-16-thiacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane;1,4,7,13-tetraoxa-10,16-dithiacyclooctadecane;1,4,7,10-tetraoxa-13-thiacyclopentadecane;1,4,7-trioxa-10,13-dithiacyclopentadecane;1,4,10-trioxa-7,13-dithiacyclopentadecane;1,4,7-trioxonane

1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadecane;1,4,7,10,13-pentaoxa-16-thiacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane;1,4,7,13-tetraoxa-10,16-dithiacyclooctadecane;1,4,7,10-tetraoxa-13-thiacyclopentadecane;1,4,7-trioxa-10,13-dithiacyclopentadecane;1,4,10-trioxa-7,13-dithiacyclopentadecane;1,4,7-trioxonane (PubChem CID 158126715) has the molecular formula C104H210N2O40S10 and a molecular weight of 2449.47 g/mol. Its IUPAC name is 1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadecane;1,4,7,10,13-pentaoxa-16-thiacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane;1,4,7,13-tetraoxa-10,16-dithiacyclooctadecane;1,4,7,10-tetraoxa-13-thiacyclopentadecane;1,4,7-trioxa-10,13-dithiacyclopentadecane;1,4,10-trioxa-7,13-dithiacyclopentadecane;1,4,7-trioxonane.

Molecular Properties

• Compound Name: 1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadecane;1,4,7,10,13-pentaoxa-16-thiacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane;1,4,7,13-tetraoxa-10,16-dithiacyclooctadecane;1,4,7,10-tetraoxa-13-thiacyclopentadecane;1,4,7-trioxa-10,13-dithiacyclopentadecane;1,4,10-trioxa-7,13-dithiacyclopentadecane;1,4,7-trioxonane
• PubChem CID: 158126715
• Molecular Formula: C104H210N2O40S10
• Molecular Weight: 2449.47 g/mol
• Exact Mass: 2447.17
• IUPAC Name: 1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadecane;1,4,7,10,13-pentaoxa-16-thiacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane;1,4,7,13-tetraoxa-10,16-dithiacyclooctadecane;1,4,7,10-tetraoxa-13-thiacyclopentadecane;1,4,7-trioxa-10,13-dithiacyclopentadecane;1,4,10-trioxa-7,13-dithiacyclopentadecane;1,4,7-trioxonane
• SMILES: C1COCCOCCO1.C1COCCOCCOCCOCCN1.C1COCCOCCOCCOCCO1.C1COCCOCCOCCOCCOCCN1.C1COCCOCCSCCOCCO1.C1COCCOCCSCCOCCOCCO1.C1COCCOCCSCCSCCOCCO1.C1COCCSCCOCCSCCO1.C1COCCSCCOCCSCCOCCO1.C1COCCSCCSCCOCCO1
• InChI: InChI=1S/C12H25NO5.C12H24O5S.2C12H24O4S2.C10H21NO4.C10H20O5.C10H20O4S.2C10H20O3S2.C6H12O3/c2*1-3-14-5-7-16-9-11-18-12-10-17-8-6-15-4-2-13-1;1-3-14-5-9-17-11-7-16-8-12-18-10-6-15-4-2-13-1;1-2-14-4-6-16-8-10-18-12-11-17-9-7-15-5-3-13-1;1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1;1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1;1-2-12-4-6-14-8-10-15-9-7-13-5-3-11-1;1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1;1-2-12-4-8-15-10-6-13-5-9-14-7-3-11-1;1-2-8-5-6-9-4-3-7-1/h13H,1-12H2;3*1-12H2;11H,1-10H2;4*1-10H2;1-6H2
• InChIKey: FSGOENGSMCISQO-UHFFFAOYSA-N
• XLogP: 7.18
• TPSA: 393.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 52
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2449.47
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of 1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadecane;1,4,7,10,13-pentaoxa-16-thiacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane;1,4,7,13-tetraoxa-10,16-dithiacyclooctadecane;1,4,7,10-tetraoxa-13-thiacyclopentadecane;1,4,7-trioxa-10,13-dithiacyclopentadecane;1,4,10-trioxa-7,13-dithiacyclopentadecane;1,4,7-trioxonane?

The IUPAC name of 1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadecane;1,4,7,10,13-pentaoxa-16-thiacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane;1,4,7,13-tetraoxa-10,16-dithiacyclooctadecane;1,4,7,10-tetraoxa-13-thiacyclopentadecane;1,4,7-trioxa-10,13-dithiacyclopentadecane;1,4,10-trioxa-7,13-dithiacyclopentadecane;1,4,7-trioxonane (CID 158126715) is 1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadecane;1,4,7,10,13-pentaoxa-16-thiacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane;1,4,7,13-tetraoxa-10,16-dithiacyclooctadecane;1,4,7,10-tetraoxa-13-thiacyclopentadecane;1,4,7-trioxa-10,13-dithiacyclopentadecane;1,4,10-trioxa-7,13-dithiacyclopentadecane;1,4,7-trioxonane.

What is the SMILES notation for 1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadecane;1,4,7,10,13-pentaoxa-16-thiacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane;1,4,7,13-tetraoxa-10,16-dithiacyclooctadecane;1,4,7,10-tetraoxa-13-thiacyclopentadecane;1,4,7-trioxa-10,13-dithiacyclopentadecane;1,4,10-trioxa-7,13-dithiacyclopentadecane;1,4,7-trioxonane?

The canonical SMILES for 1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadecane;1,4,7,10,13-pentaoxa-16-thiacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane;1,4,7,13-tetraoxa-10,16-dithiacyclooctadecane;1,4,7,10-tetraoxa-13-thiacyclopentadecane;1,4,7-trioxa-10,13-dithiacyclopentadecane;1,4,10-trioxa-7,13-dithiacyclopentadecane;1,4,7-trioxonane is C1COCCOCCO1.C1COCCOCCOCCOCCN1.C1COCCOCCOCCOCCO1.C1COCCOCCOCCOCCOCCN1.C1COCCOCCSCCOCCO1.C1COCCOCCSCCOCCOCCO1.C1COCCOCCSCCSCCOCCO1.C1COCCSCCOCCSCCO1.C1COCCSCCOCCSCCOCCO1.C1COCCSCCSCCOCCO1.

What is the InChIKey of 1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadecane;1,4,7,10,13-pentaoxa-16-thiacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane;1,4,7,13-tetraoxa-10,16-dithiacyclooctadecane;1,4,7,10-tetraoxa-13-thiacyclopentadecane;1,4,7-trioxa-10,13-dithiacyclopentadecane;1,4,10-trioxa-7,13-dithiacyclopentadecane;1,4,7-trioxonane?

The InChIKey is FSGOENGSMCISQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO5.C12H24O5S.2C12H24O4S2.C10H21NO4.C10H20O5.C10H20O4S.2C10H20O3S2.C6H12O3/c2*1-3-14-5-7-16-9-11-18-12-10-17-8-6-15-4-2-13-1;1-3-14-5-9-17-11-7-16-8-12-18-10-6-15-4-2-13-1;1-2-14-4-6-16-8-10-18-12-11-17-9-7-15-5-3-13-1;1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1;1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1;1-2-12-4-6-14-8-10-15-9-7-13-5-3-11-1;1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1;1-2-12-4-8-15-10-6-13-5-9-14-7-3-11-1;1-2-8-5-6-9-4-3-7-1/h13H,1-12H2;3*1-12H2;11H,1-10H2;4*1-10H2;1-6H2.

What are the key properties of 1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadecane;1,4,7,10,13-pentaoxa-16-thiacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane;1,4,7,13-tetraoxa-10,16-dithiacyclooctadecane;1,4,7,10-tetraoxa-13-thiacyclopentadecane;1,4,7-trioxa-10,13-dithiacyclopentadecane;1,4,10-trioxa-7,13-dithiacyclopentadecane;1,4,7-trioxonane?

1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadecane;1,4,7,10,13-pentaoxa-16-thiacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane;1,4,7,13-tetraoxa-10,16-dithiacyclooctadecane;1,4,7,10-tetraoxa-13-thiacyclopentadecane;1,4,7-trioxa-10,13-dithiacyclopentadecane;1,4,10-trioxa-7,13-dithiacyclopentadecane;1,4,7-trioxonane has a molecular weight of 2449.47 g/mol, XLogP of 7.18, 0 rotatable bonds, 2 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadecane;1,4,7,10,13-pentaoxa-16-thiacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane;1,4,7,13-tetraoxa-10,16-dithiacyclooctadecane;1,4,7,10-tetraoxa-13-thiacyclopentadecane;1,4,7-trioxa-10,13-dithiacyclopentadecane;1,4,10-trioxa-7,13-dithiacyclopentadecane;1,4,7-trioxonane is sourced from PubChem (CID 158126715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).