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

C32H46O12 — CID 101436486

IUPAC20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
SMILESc1cc2c(cc1-c1ccc3c(c1)OCCOCCOCCOCCOCCO3)OCCOCCOCCOCCOCCO2
InChIInChI=1S/C32H46O12/c1-3-29-31(43-23-19-39-15-11-35-7-5-33-9-13-37-17-21-41-29)25-27(1)28-2-4-30-32(26-28)44-24-20-40-16-12-36-8-6-34-10-14-38-18-22-42-30/h1-4,25-26H,5-24H2
InChIKeyWRMWUSDFFSTEDA-UHFFFAOYSA-N
MW622.71 g/mol
LogP3.03
Rot. Bonds1

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

20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene (PubChem CID 101436486) has the molecular formula C32H46O12 and a molecular weight of 622.71 g/mol. Its IUPAC name is 20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene.

Molecular Properties

Compound Name20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
PubChem CID101436486
Molecular FormulaC32H46O12
Molecular Weight622.71 g/mol
Exact Mass622.30
IUPAC Name20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
SMILESc1cc2c(cc1-c1ccc3c(c1)OCCOCCOCCOCCOCCO3)OCCOCCOCCOCCOCCO2
InChIInChI=1S/C32H46O12/c1-3-29-31(43-23-19-39-15-11-35-7-5-33-9-13-37-17-21-41-29)25-27(1)28-2-4-30-32(26-28)44-24-20-40-16-12-36-8-6-34-10-14-38-18-22-42-30/h1-4,25-26H,5-24H2
InChIKeyWRMWUSDFFSTEDA-UHFFFAOYSA-N
XLogP3.03
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds1
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.71
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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

Launch Full Analysis

Related Compounds

17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
9-[2,6-bis(2,3,5,6-tetrahydro-1,4,7-benzotrioxonin-9-yl)pyrylium-4-yl]-2,3,5,6-tetrahydro-1,4,7-benzotrioxonine
CID 102211345
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol
CID 13273773
4,7,10,14,17,20-hexaoxatricyclo[11.7.0.03,11]icosa-1(13),2,11-triene
CID 176853377
5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol
CID 102219638
2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine
CID 2724802
14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene
CID 90365748
2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-ylazanium chloride
CID 44723481
9-(2,6-diphenylpyrylium-4-yl)-2,3,5,6-tetrahydro-1,4,7-benzotrioxonine perchlorate
CID 11135007
29-nitro-2,5,8,11,14,17,20,23,26-nonaoxabicyclo[25.4.0]hentriaconta-1(27),28,30-triene
CID 14294030
ethane;2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine
CID 142832225
11,12,24-tribromo-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9,11,13,23,25-hexaene
CID 6420336

Frequently Asked Questions

What is the IUPAC name of 20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene?
The IUPAC name of 20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene (CID 101436486) is 20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene.
What is the SMILES notation for 20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene?
The canonical SMILES for 20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene is c1cc2c(cc1-c1ccc3c(c1)OCCOCCOCCOCCOCCO3)OCCOCCOCCOCCOCCO2.
What is the InChIKey of 20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene?
The InChIKey is WRMWUSDFFSTEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46O12/c1-3-29-31(43-23-19-39-15-11-35-7-5-33-9-13-37-17-21-41-29)25-27(1)28-2-4-30-32(26-28)44-24-20-40-16-12-36-8-6-34-10-14-38-18-22-42-30/h1-4,25-26H,5-24H2.
What are the key properties of 20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene?
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene has a molecular weight of 622.71 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene is sourced from PubChem (CID 101436486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).