1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone

C24H40O8 — CID 12581605

IUPAC1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone
SMILESO=C1CCCCCCCCC(=O)OCCOC(=O)CCCCCCCCC(=O)OCCO1
InChIInChI=1S/C24H40O8/c25-21-13-9-5-1-2-6-10-14-22(26)30-19-20-32-24(28)16-12-8-4-3-7-11-15-23(27)31-18-17-29-21/h1-20H2
InChIKeyAMGBSKXAVWNRGS-UHFFFAOYSA-N
MW456.58 g/mol
LogP4.41
Rot. Bonds

About 1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone

1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone (PubChem CID 12581605) has the molecular formula C24H40O8 and a molecular weight of 456.58 g/mol. Its IUPAC name is 1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone.

Molecular Properties

Compound Name1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone
PubChem CID12581605
Molecular FormulaC24H40O8
Molecular Weight456.58 g/mol
Exact Mass456.27
IUPAC Name1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone
SMILESO=C1CCCCCCCCC(=O)OCCOC(=O)CCCCCCCCC(=O)OCCO1
InChIInChI=1S/C24H40O8/c25-21-13-9-5-1-2-6-10-14-22(26)30-19-20-32-24(28)16-12-8-4-3-7-11-15-23(27)31-18-17-29-21/h1-20H2
InChIKeyAMGBSKXAVWNRGS-UHFFFAOYSA-N
XLogP4.41
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone?
The IUPAC name of 1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone (CID 12581605) is 1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone.
What is the SMILES notation for 1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone?
The canonical SMILES for 1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone is O=C1CCCCCCCCC(=O)OCCOC(=O)CCCCCCCCC(=O)OCCO1.
What is the InChIKey of 1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone?
The InChIKey is AMGBSKXAVWNRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O8/c25-21-13-9-5-1-2-6-10-14-22(26)30-19-20-32-24(28)16-12-8-4-3-7-11-15-23(27)31-18-17-29-21/h1-20H2.
What are the key properties of 1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone?
1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone has a molecular weight of 456.58 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone is sourced from PubChem (CID 12581605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).