(9E,22E)-7,12,20,25-tetraoxadispiro[4.8.414.85]hexacosa-2,9,16,22-tetraene

C22H32O4 — CID 177495943

IUPAC(9E,22E)-7,12,20,25-tetraoxadispiro[4.8.414.85]hexacosa-2,9,16,22-tetraene
SMILESC1=CCC2(C1)COC/C=C/COCC1(CC=CC1)COC/C=C/COC2
InChIInChI=1S/C22H32O4/c1-2-10-21(9-1)17-23-13-5-7-15-25-19-22(11-3-4-12-22)20-26-16-8-6-14-24-18-21/h1-8H,9-20H2/b7-5+,8-6+
InChIKeyITFJSARDHDZVNL-KQQUZDAGSA-N
MW360.49 g/mol
LogP3.85
Rot. Bonds

About (9E,22E)-7,12,20,25-tetraoxadispiro[4.8.414.85]hexacosa-2,9,16,22-tetraene

(9E,22E)-7,12,20,25-tetraoxadispiro[4.8.414.85]hexacosa-2,9,16,22-tetraene (PubChem CID 177495943) has the molecular formula C22H32O4 and a molecular weight of 360.49 g/mol. Its IUPAC name is (9E,22E)-7,12,20,25-tetraoxadispiro[4.8.414.85]hexacosa-2,9,16,22-tetraene.

Molecular Properties

Compound Name(9E,22E)-7,12,20,25-tetraoxadispiro[4.8.414.85]hexacosa-2,9,16,22-tetraene
PubChem CID177495943
Molecular FormulaC22H32O4
Molecular Weight360.49 g/mol
Exact Mass360.23
IUPAC Name(9E,22E)-7,12,20,25-tetraoxadispiro[4.8.414.85]hexacosa-2,9,16,22-tetraene
SMILESC1=CCC2(C1)COC/C=C/COCC1(CC=CC1)COC/C=C/COC2
InChIInChI=1S/C22H32O4/c1-2-10-21(9-1)17-23-13-5-7-15-25-19-22(11-3-4-12-22)20-26-16-8-6-14-24-18-21/h1-8H,9-20H2/b7-5+,8-6+
InChIKeyITFJSARDHDZVNL-KQQUZDAGSA-N
XLogP3.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 86214882
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CID 101200823
4,4,9,9-Tetrakis(ethoxymethyl)-1,6,11-dodecatriene
CID 129851492
1-(5,5-Dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene
CID 57019524
2-[2-(2,5-Dihydrofuran-2-yl)propan-2-yl]-2,5-dihydrofuran
CID 173662677
4,4-Bis(prop-2-enoxymethyl)cyclopentene
CID 86214873
4-(prop-2-enoxymethyl)-4-[[(E)-4-[[1-(prop-2-enoxymethyl)cyclopent-3-en-1-yl]methoxy]but-2-enoxy]methyl]cyclopentene
CID 101200824

Frequently Asked Questions

What is the IUPAC name of (9E,22E)-7,12,20,25-tetraoxadispiro[4.8.414.85]hexacosa-2,9,16,22-tetraene?
The IUPAC name of (9E,22E)-7,12,20,25-tetraoxadispiro[4.8.414.85]hexacosa-2,9,16,22-tetraene (CID 177495943) is (9E,22E)-7,12,20,25-tetraoxadispiro[4.8.414.85]hexacosa-2,9,16,22-tetraene.
What is the SMILES notation for (9E,22E)-7,12,20,25-tetraoxadispiro[4.8.414.85]hexacosa-2,9,16,22-tetraene?
The canonical SMILES for (9E,22E)-7,12,20,25-tetraoxadispiro[4.8.414.85]hexacosa-2,9,16,22-tetraene is C1=CCC2(C1)COC/C=C/COCC1(CC=CC1)COC/C=C/COC2.
What is the InChIKey of (9E,22E)-7,12,20,25-tetraoxadispiro[4.8.414.85]hexacosa-2,9,16,22-tetraene?
The InChIKey is ITFJSARDHDZVNL-KQQUZDAGSA-N. The full InChI is InChI=1S/C22H32O4/c1-2-10-21(9-1)17-23-13-5-7-15-25-19-22(11-3-4-12-22)20-26-16-8-6-14-24-18-21/h1-8H,9-20H2/b7-5+,8-6+.
What are the key properties of (9E,22E)-7,12,20,25-tetraoxadispiro[4.8.414.85]hexacosa-2,9,16,22-tetraene?
(9E,22E)-7,12,20,25-tetraoxadispiro[4.8.414.85]hexacosa-2,9,16,22-tetraene has a molecular weight of 360.49 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,22E)-7,12,20,25-tetraoxadispiro[4.8.414.85]hexacosa-2,9,16,22-tetraene is sourced from PubChem (CID 177495943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).