1-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)ethanone

C22H26O7 — CID 4551611

IUPAC1-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2
InChIInChI=1S/C22H26O7/c1-17(23)18-6-7-21-22(16-18)29-15-11-25-9-13-27-20-5-3-2-4-19(20)26-12-8-24-10-14-28-21/h2-7,16H,8-15H2,1H3
InChIKeyKEOHSZCHSVGGCN-UHFFFAOYSA-N
MW402.44 g/mol
LogP3.15
Rot. Bonds1

About 1-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)ethanone

1-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)ethanone (PubChem CID 4551611) has the molecular formula C22H26O7 and a molecular weight of 402.44 g/mol. Its IUPAC name is 1-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)ethanone.

Molecular Properties

Compound Name1-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)ethanone
PubChem CID4551611
Molecular FormulaC22H26O7
Molecular Weight402.44 g/mol
Exact Mass402.17
IUPAC Name1-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2
InChIInChI=1S/C22H26O7/c1-17(23)18-6-7-21-22(16-18)29-15-11-25-9-13-27-20-5-3-2-4-19(20)26-12-8-24-10-14-28-21/h2-7,16H,8-15H2,1H3
InChIKeyKEOHSZCHSVGGCN-UHFFFAOYSA-N
XLogP3.15
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)ethanone?
The IUPAC name of 1-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)ethanone (CID 4551611) is 1-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)ethanone.
What is the SMILES notation for 1-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)ethanone?
The canonical SMILES for 1-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)ethanone is CC(=O)c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2.
What is the InChIKey of 1-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)ethanone?
The InChIKey is KEOHSZCHSVGGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O7/c1-17(23)18-6-7-21-22(16-18)29-15-11-25-9-13-27-20-5-3-2-4-19(20)26-12-8-24-10-14-28-21/h2-7,16H,8-15H2,1H3.
What are the key properties of 1-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)ethanone?
1-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)ethanone has a molecular weight of 402.44 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)ethanone is sourced from PubChem (CID 4551611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).