4,5,17,18-tetramethoxy-11-oxatricyclo[13.2.2.02,7]nonadeca-1(17),2,4,6,15,18-hexaen-12-one

C22H26O6 — CID 101463194

IUPAC4,5,17,18-tetramethoxy-11-oxatricyclo[13.2.2.02,7]nonadeca-1(17),2,4,6,15,18-hexaen-12-one
SMILESCOc1cc2c(cc1OC)-c1c(OC)cc(cc1OC)CCC(=O)OCCC2
InChIInChI=1S/C22H26O6/c1-24-17-12-15-6-5-9-28-21(23)8-7-14-10-19(26-3)22(20(11-14)27-4)16(15)13-18(17)25-2/h10-13H,5-9H2,1-4H3
InChIKeyAEHPPNBHXMJKMF-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.81
Rot. Bonds4

About 4,5,17,18-tetramethoxy-11-oxatricyclo[13.2.2.02,7]nonadeca-1(17),2,4,6,15,18-hexaen-12-one

4,5,17,18-tetramethoxy-11-oxatricyclo[13.2.2.02,7]nonadeca-1(17),2,4,6,15,18-hexaen-12-one (PubChem CID 101463194) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is 4,5,17,18-tetramethoxy-11-oxatricyclo[13.2.2.02,7]nonadeca-1(17),2,4,6,15,18-hexaen-12-one.

Molecular Properties

Compound Name4,5,17,18-tetramethoxy-11-oxatricyclo[13.2.2.02,7]nonadeca-1(17),2,4,6,15,18-hexaen-12-one
PubChem CID101463194
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name4,5,17,18-tetramethoxy-11-oxatricyclo[13.2.2.02,7]nonadeca-1(17),2,4,6,15,18-hexaen-12-one
SMILESCOc1cc2c(cc1OC)-c1c(OC)cc(cc1OC)CCC(=O)OCCC2
InChIInChI=1S/C22H26O6/c1-24-17-12-15-6-5-9-28-21(23)8-7-14-10-19(26-3)22(20(11-14)27-4)16(15)13-18(17)25-2/h10-13H,5-9H2,1-4H3
InChIKeyAEHPPNBHXMJKMF-UHFFFAOYSA-N
XLogP3.81
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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oxolan-2-one;yttrium
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CID 62934537

Frequently Asked Questions

What is the IUPAC name of 4,5,17,18-tetramethoxy-11-oxatricyclo[13.2.2.02,7]nonadeca-1(17),2,4,6,15,18-hexaen-12-one?
The IUPAC name of 4,5,17,18-tetramethoxy-11-oxatricyclo[13.2.2.02,7]nonadeca-1(17),2,4,6,15,18-hexaen-12-one (CID 101463194) is 4,5,17,18-tetramethoxy-11-oxatricyclo[13.2.2.02,7]nonadeca-1(17),2,4,6,15,18-hexaen-12-one.
What is the SMILES notation for 4,5,17,18-tetramethoxy-11-oxatricyclo[13.2.2.02,7]nonadeca-1(17),2,4,6,15,18-hexaen-12-one?
The canonical SMILES for 4,5,17,18-tetramethoxy-11-oxatricyclo[13.2.2.02,7]nonadeca-1(17),2,4,6,15,18-hexaen-12-one is COc1cc2c(cc1OC)-c1c(OC)cc(cc1OC)CCC(=O)OCCC2.
What is the InChIKey of 4,5,17,18-tetramethoxy-11-oxatricyclo[13.2.2.02,7]nonadeca-1(17),2,4,6,15,18-hexaen-12-one?
The InChIKey is AEHPPNBHXMJKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O6/c1-24-17-12-15-6-5-9-28-21(23)8-7-14-10-19(26-3)22(20(11-14)27-4)16(15)13-18(17)25-2/h10-13H,5-9H2,1-4H3.
What are the key properties of 4,5,17,18-tetramethoxy-11-oxatricyclo[13.2.2.02,7]nonadeca-1(17),2,4,6,15,18-hexaen-12-one?
4,5,17,18-tetramethoxy-11-oxatricyclo[13.2.2.02,7]nonadeca-1(17),2,4,6,15,18-hexaen-12-one has a molecular weight of 386.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,17,18-tetramethoxy-11-oxatricyclo[13.2.2.02,7]nonadeca-1(17),2,4,6,15,18-hexaen-12-one is sourced from PubChem (CID 101463194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).