3,5,13,15-tetraoxatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaene

C18H20O4 — CID 24777755

IUPAC3,5,13,15-tetraoxatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaene
SMILESc1cc2cc(c1)COCOCc1cccc(c1)COCOC2
InChIInChI=1S/C18H20O4/c1-3-15-7-16(4-1)10-20-14-22-12-18-6-2-5-17(8-18)11-21-13-19-9-15/h1-8H,9-14H2
InChIKeyBDVQEHRJLLGWBS-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.38
Rot. Bonds

About 3,5,13,15-tetraoxatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaene

3,5,13,15-tetraoxatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaene (PubChem CID 24777755) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3,5,13,15-tetraoxatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaene.

Molecular Properties

Compound Name3,5,13,15-tetraoxatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaene
PubChem CID24777755
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name3,5,13,15-tetraoxatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaene
SMILESc1cc2cc(c1)COCOCc1cccc(c1)COCOC2
InChIInChI=1S/C18H20O4/c1-3-15-7-16(4-1)10-20-14-22-12-18-6-2-5-17(8-18)11-21-13-19-9-15/h1-8H,9-14H2
InChIKeyBDVQEHRJLLGWBS-UHFFFAOYSA-N
XLogP3.38
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,5,13,15-tetraoxatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaene with MolForge

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Related Compounds

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CID 56650866
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CID 139054037
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CID 171377918
CID 10094759
CID 10094759
3,9,17,25-tetraoxaheptacyclo[21.5.2.25,8.07,11.010,15.019,24.026,30]dotriaconta-1(29),5,7,10(15),11,13,19(24),20,22,26(30),27,31-dodecaene
CID 122694635
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Frequently Asked Questions

What is the IUPAC name of 3,5,13,15-tetraoxatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaene?
The IUPAC name of 3,5,13,15-tetraoxatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaene (CID 24777755) is 3,5,13,15-tetraoxatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaene.
What is the SMILES notation for 3,5,13,15-tetraoxatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaene?
The canonical SMILES for 3,5,13,15-tetraoxatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaene is c1cc2cc(c1)COCOCc1cccc(c1)COCOC2.
What is the InChIKey of 3,5,13,15-tetraoxatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaene?
The InChIKey is BDVQEHRJLLGWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-15-7-16(4-1)10-20-14-22-12-18-6-2-5-17(8-18)11-21-13-19-9-15/h1-8H,9-14H2.
What are the key properties of 3,5,13,15-tetraoxatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaene?
3,5,13,15-tetraoxatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaene has a molecular weight of 300.35 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,13,15-tetraoxatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaene is sourced from PubChem (CID 24777755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).