(5E,17E)-5,17-dimethyl-2,14-dioxatricyclo[18.4.0.08,13]tetracosa-1(24),5,8,10,12,17,20,22-octaene

C24H28O2 — CID 90084407

IUPAC(5E,17E)-5,17-dimethyl-2,14-dioxatricyclo[18.4.0.08,13]tetracosa-1(24),5,8,10,12,17,20,22-octaene
SMILESC/C1=C\Cc2ccccc2OCC/C(C)=C/Cc2ccccc2OCC1
InChIInChI=1S/C24H28O2/c1-19-11-13-21-7-3-5-9-23(21)26-18-16-20(2)12-14-22-8-4-6-10-24(22)25-17-15-19/h3-12H,13-18H2,1-2H3/b19-11+,20-12+
InChIKeyBPIOOVRCEHJJFI-AYKLPDECSA-N
MW348.49 g/mol
LogP5.92
Rot. Bonds

About (5E,17E)-5,17-dimethyl-2,14-dioxatricyclo[18.4.0.08,13]tetracosa-1(24),5,8,10,12,17,20,22-octaene

(5E,17E)-5,17-dimethyl-2,14-dioxatricyclo[18.4.0.08,13]tetracosa-1(24),5,8,10,12,17,20,22-octaene (PubChem CID 90084407) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (5E,17E)-5,17-dimethyl-2,14-dioxatricyclo[18.4.0.08,13]tetracosa-1(24),5,8,10,12,17,20,22-octaene.

Molecular Properties

Compound Name(5E,17E)-5,17-dimethyl-2,14-dioxatricyclo[18.4.0.08,13]tetracosa-1(24),5,8,10,12,17,20,22-octaene
PubChem CID90084407
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name(5E,17E)-5,17-dimethyl-2,14-dioxatricyclo[18.4.0.08,13]tetracosa-1(24),5,8,10,12,17,20,22-octaene
SMILESC/C1=C\Cc2ccccc2OCC/C(C)=C/Cc2ccccc2OCC1
InChIInChI=1S/C24H28O2/c1-19-11-13-21-7-3-5-9-23(21)26-18-16-20(2)12-14-22-8-4-6-10-24(22)25-17-15-19/h3-12H,13-18H2,1-2H3/b19-11+,20-12+
InChIKeyBPIOOVRCEHJJFI-AYKLPDECSA-N
XLogP5.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5E,17E)-5,17-dimethyl-2,14-dioxatricyclo[18.4.0.08,13]tetracosa-1(24),5,8,10,12,17,20,22-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5E,17E)-5,17-dimethyl-2,14-dioxatricyclo[18.4.0.08,13]tetracosa-1(24),5,8,10,12,17,20,22-octaene?
The IUPAC name of (5E,17E)-5,17-dimethyl-2,14-dioxatricyclo[18.4.0.08,13]tetracosa-1(24),5,8,10,12,17,20,22-octaene (CID 90084407) is (5E,17E)-5,17-dimethyl-2,14-dioxatricyclo[18.4.0.08,13]tetracosa-1(24),5,8,10,12,17,20,22-octaene.
What is the SMILES notation for (5E,17E)-5,17-dimethyl-2,14-dioxatricyclo[18.4.0.08,13]tetracosa-1(24),5,8,10,12,17,20,22-octaene?
The canonical SMILES for (5E,17E)-5,17-dimethyl-2,14-dioxatricyclo[18.4.0.08,13]tetracosa-1(24),5,8,10,12,17,20,22-octaene is C/C1=C\Cc2ccccc2OCC/C(C)=C/Cc2ccccc2OCC1.
What is the InChIKey of (5E,17E)-5,17-dimethyl-2,14-dioxatricyclo[18.4.0.08,13]tetracosa-1(24),5,8,10,12,17,20,22-octaene?
The InChIKey is BPIOOVRCEHJJFI-AYKLPDECSA-N. The full InChI is InChI=1S/C24H28O2/c1-19-11-13-21-7-3-5-9-23(21)26-18-16-20(2)12-14-22-8-4-6-10-24(22)25-17-15-19/h3-12H,13-18H2,1-2H3/b19-11+,20-12+.
What are the key properties of (5E,17E)-5,17-dimethyl-2,14-dioxatricyclo[18.4.0.08,13]tetracosa-1(24),5,8,10,12,17,20,22-octaene?
(5E,17E)-5,17-dimethyl-2,14-dioxatricyclo[18.4.0.08,13]tetracosa-1(24),5,8,10,12,17,20,22-octaene has a molecular weight of 348.49 g/mol, XLogP of 5.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,17E)-5,17-dimethyl-2,14-dioxatricyclo[18.4.0.08,13]tetracosa-1(24),5,8,10,12,17,20,22-octaene is sourced from PubChem (CID 90084407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).