1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone

C18H26O7 — CID 3660800

IUPAC1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2
InChIInChI=1S/C18H26O7/c1-15(19)16-2-3-17-18(14-16)25-13-11-23-9-7-21-5-4-20-6-8-22-10-12-24-17/h2-3,14H,4-13H2,1H3
InChIKeyGOVDFSVHYMATAJ-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.73
Rot. Bonds1

About 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone

1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone (PubChem CID 3660800) has the molecular formula C18H26O7 and a molecular weight of 354.40 g/mol. Its IUPAC name is 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone.

Molecular Properties

Compound Name1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone
PubChem CID3660800
Molecular FormulaC18H26O7
Molecular Weight354.40 g/mol
Exact Mass354.17
IUPAC Name1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2
InChIInChI=1S/C18H26O7/c1-15(19)16-2-3-17-18(14-16)25-13-11-23-9-7-21-5-4-20-6-8-22-10-12-24-17/h2-3,14H,4-13H2,1H3
InChIKeyGOVDFSVHYMATAJ-UHFFFAOYSA-N
XLogP1.73
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone?
The IUPAC name of 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone (CID 3660800) is 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone.
What is the SMILES notation for 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone?
The canonical SMILES for 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone is CC(=O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2.
What is the InChIKey of 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone?
The InChIKey is GOVDFSVHYMATAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O7/c1-15(19)16-2-3-17-18(14-16)25-13-11-23-9-7-21-5-4-20-6-8-22-10-12-24-17/h2-3,14H,4-13H2,1H3.
What are the key properties of 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone?
1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone has a molecular weight of 354.40 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone is sourced from PubChem (CID 3660800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).