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

C20H32O6 — CID 23276776

IUPAC22-ethyl-3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene
SMILESCCc1ccc2c(c1)COCCOCCOCCOCCOCCOC2
InChIInChI=1S/C20H32O6/c1-2-18-3-4-19-16-25-13-11-23-9-7-21-5-6-22-8-10-24-12-14-26-17-20(19)15-18/h3-4,15H,2,5-14,16-17H2,1H3
InChIKeyGMGAQQFLRNNBIG-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.36
Rot. Bonds1

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

22-ethyl-3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene (PubChem CID 23276776) has the molecular formula C20H32O6 and a molecular weight of 368.47 g/mol. Its IUPAC name is 22-ethyl-3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene.

Molecular Properties

Compound Name22-ethyl-3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene
PubChem CID23276776
Molecular FormulaC20H32O6
Molecular Weight368.47 g/mol
Exact Mass368.22
IUPAC Name22-ethyl-3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene
SMILESCCc1ccc2c(c1)COCCOCCOCCOCCOCCOC2
InChIInChI=1S/C20H32O6/c1-2-18-3-4-19-16-25-13-11-23-9-7-21-5-6-22-8-10-24-12-14-26-17-20(19)15-18/h3-4,15H,2,5-14,16-17H2,1H3
InChIKeyGMGAQQFLRNNBIG-UHFFFAOYSA-N
XLogP2.36
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 22-ethyl-3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene?
The IUPAC name of 22-ethyl-3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene (CID 23276776) is 22-ethyl-3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene.
What is the SMILES notation for 22-ethyl-3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene?
The canonical SMILES for 22-ethyl-3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene is CCc1ccc2c(c1)COCCOCCOCCOCCOCCOC2.
What is the InChIKey of 22-ethyl-3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene?
The InChIKey is GMGAQQFLRNNBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O6/c1-2-18-3-4-19-16-25-13-11-23-9-7-21-5-6-22-8-10-24-12-14-26-17-20(19)15-18/h3-4,15H,2,5-14,16-17H2,1H3.
What are the key properties of 22-ethyl-3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene?
22-ethyl-3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene has a molecular weight of 368.47 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 22-ethyl-3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene is sourced from PubChem (CID 23276776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).