1,8,17-trioxacyclopentacosane-2,7-dione

C22H40O5 — CID 150130718

IUPAC1,8,17-trioxacyclopentacosane-2,7-dione
SMILESO=C1CCCCC(=O)OCCCCCCCCOCCCCCCCCO1
InChIInChI=1S/C22H40O5/c23-21-15-9-10-16-22(24)27-20-14-8-4-2-6-12-18-25-17-11-5-1-3-7-13-19-26-21/h1-20H2
InChIKeyFBEJKFINGHTDJQ-UHFFFAOYSA-N
MW384.56 g/mol
LogP5.34
Rot. Bonds

About 1,8,17-trioxacyclopentacosane-2,7-dione

1,8,17-trioxacyclopentacosane-2,7-dione (PubChem CID 150130718) has the molecular formula C22H40O5 and a molecular weight of 384.56 g/mol. Its IUPAC name is 1,8,17-trioxacyclopentacosane-2,7-dione.

Molecular Properties

Compound Name1,8,17-trioxacyclopentacosane-2,7-dione
PubChem CID150130718
Molecular FormulaC22H40O5
Molecular Weight384.56 g/mol
Exact Mass384.29
IUPAC Name1,8,17-trioxacyclopentacosane-2,7-dione
SMILESO=C1CCCCC(=O)OCCCCCCCCOCCCCCCCCO1
InChIInChI=1S/C22H40O5/c23-21-15-9-10-16-22(24)27-20-14-8-4-2-6-12-18-25-17-11-5-1-3-7-13-19-26-21/h1-20H2
InChIKeyFBEJKFINGHTDJQ-UHFFFAOYSA-N
XLogP5.34
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,8,17-trioxacyclopentacosane-2,7-dione?
The IUPAC name of 1,8,17-trioxacyclopentacosane-2,7-dione (CID 150130718) is 1,8,17-trioxacyclopentacosane-2,7-dione.
What is the SMILES notation for 1,8,17-trioxacyclopentacosane-2,7-dione?
The canonical SMILES for 1,8,17-trioxacyclopentacosane-2,7-dione is O=C1CCCCC(=O)OCCCCCCCCOCCCCCCCCO1.
What is the InChIKey of 1,8,17-trioxacyclopentacosane-2,7-dione?
The InChIKey is FBEJKFINGHTDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O5/c23-21-15-9-10-16-22(24)27-20-14-8-4-2-6-12-18-25-17-11-5-1-3-7-13-19-26-21/h1-20H2.
What are the key properties of 1,8,17-trioxacyclopentacosane-2,7-dione?
1,8,17-trioxacyclopentacosane-2,7-dione has a molecular weight of 384.56 g/mol, XLogP of 5.34, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,17-trioxacyclopentacosane-2,7-dione is sourced from PubChem (CID 150130718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).