2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),19,21-triene

C17H26O6 — CID 22411101

IUPAC2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),19,21-triene
SMILESc1ccc2c(c1)OCCCOCCOCCOCCOCCO2
InChIInChI=1S/C17H26O6/c1-2-5-17-16(4-1)22-7-3-6-18-8-9-19-10-11-20-12-13-21-14-15-23-17/h1-2,4-5H,3,6-15H2
InChIKeyUVPKHIZQBMMQTI-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.91
Rot. Bonds

About 2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),19,21-triene

2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),19,21-triene (PubChem CID 22411101) has the molecular formula C17H26O6 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),19,21-triene.

Molecular Properties

Compound Name2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),19,21-triene
PubChem CID22411101
Molecular FormulaC17H26O6
Molecular Weight326.39 g/mol
Exact Mass326.17
IUPAC Name2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),19,21-triene
SMILESc1ccc2c(c1)OCCCOCCOCCOCCOCCO2
InChIInChI=1S/C17H26O6/c1-2-5-17-16(4-1)22-7-3-6-18-8-9-19-10-11-20-12-13-21-14-15-23-17/h1-2,4-5H,3,6-15H2
InChIKeyUVPKHIZQBMMQTI-UHFFFAOYSA-N
XLogP1.91
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),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

2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene
CID 13401373
2,5,8,11,14,17,20,23,26,29,36,39,42,45,48,51,54,57,60,63-icosaoxatricyclo[62.4.0.030,35]octahexaconta-1(68),30,32,34,64,66-hexaene
CID 18784255
2,3,5,6-tetrahydro-1,4,7-benzotrioxonine
CID 585925
2,5,8,11,14,21,24,27,30,33-decaoxatricyclo[32.4.0.015,20]octatriaconta-1(38),15,17,19,34,36-hexaene;2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.09,14]nonacosa-1(29),9,11,13,25,27-hexaene;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene
CID 161330562
2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.09,14]nonacosa-1(29),9,11,13,25,27-hexaene
CID 585932
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
CID 139075381
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
CID 3486729
molecular iodine;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene
CID 139040495
2,9,16,19,22,25,28,31-octaoxatetracyclo[30.4.0.03,8.010,15]hexatriaconta-1(36),3,5,7,10,12,14,32,34-nonaene
CID 19391907
benzene;3,4-dihydro-2H-1,5-benzodioxepine;ethane
CID 159794832
2,3,4,5,6,7-hexahydro-1,8-benzodioxecine
CID 13197605
3,10,13,16,19,26-hexaoxatetracyclo[26.2.2.04,9.020,25]dotriaconta-1(31),4,6,8,20,22,24,28(32),29-nonaene
CID 139077426

Frequently Asked Questions

What is the IUPAC name of 2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),19,21-triene?
The IUPAC name of 2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),19,21-triene (CID 22411101) is 2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),19,21-triene.
What is the SMILES notation for 2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),19,21-triene?
The canonical SMILES for 2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),19,21-triene is c1ccc2c(c1)OCCCOCCOCCOCCOCCO2.
What is the InChIKey of 2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),19,21-triene?
The InChIKey is UVPKHIZQBMMQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O6/c1-2-5-17-16(4-1)22-7-3-6-18-8-9-19-10-11-20-12-13-21-14-15-23-17/h1-2,4-5H,3,6-15H2.
What are the key properties of 2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),19,21-triene?
2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),19,21-triene has a molecular weight of 326.39 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),19,21-triene is sourced from PubChem (CID 22411101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).