1-(3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-yl)ethanone

C20H30O7 — CID 23276908

IUPAC1-(3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)COCCOCCOCCOCCOCCOC2
InChIInChI=1S/C20H30O7/c1-17(21)18-2-3-19-15-26-12-10-24-8-6-22-4-5-23-7-9-25-11-13-27-16-20(19)14-18/h2-3,14H,4-13,15-16H2,1H3
InChIKeyYCLNPRKGJZWUIQ-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.00
Rot. Bonds1

About 1-(3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-yl)ethanone

1-(3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-yl)ethanone (PubChem CID 23276908) has the molecular formula C20H30O7 and a molecular weight of 382.45 g/mol. Its IUPAC name is 1-(3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-yl)ethanone.

Molecular Properties

Compound Name1-(3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-yl)ethanone
PubChem CID23276908
Molecular FormulaC20H30O7
Molecular Weight382.45 g/mol
Exact Mass382.20
IUPAC Name1-(3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)COCCOCCOCCOCCOCCOC2
InChIInChI=1S/C20H30O7/c1-17(21)18-2-3-19-15-26-12-10-24-8-6-22-4-5-23-7-9-25-11-13-27-16-20(19)14-18/h2-3,14H,4-13,15-16H2,1H3
InChIKeyYCLNPRKGJZWUIQ-UHFFFAOYSA-N
XLogP2.00
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-yl)ethanone?
The IUPAC name of 1-(3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-yl)ethanone (CID 23276908) is 1-(3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-yl)ethanone.
What is the SMILES notation for 1-(3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-yl)ethanone?
The canonical SMILES for 1-(3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-yl)ethanone is CC(=O)c1ccc2c(c1)COCCOCCOCCOCCOCCOC2.
What is the InChIKey of 1-(3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-yl)ethanone?
The InChIKey is YCLNPRKGJZWUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O7/c1-17(21)18-2-3-19-15-26-12-10-24-8-6-22-4-5-23-7-9-25-11-13-27-16-20(19)14-18/h2-3,14H,4-13,15-16H2,1H3.
What are the key properties of 1-(3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-yl)ethanone?
1-(3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-yl)ethanone has a molecular weight of 382.45 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-yl)ethanone is sourced from PubChem (CID 23276908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).