15-oxaoctacyclo[10.5.2.12,8.02,11.03,7.04,11.05,9.013,17]icos-18-ene-10,14,16,20-tetrone

C19H14O5 — CID 15921750

IUPAC15-oxaoctacyclo[10.5.2.12,8.02,11.03,7.04,11.05,9.013,17]icos-18-ene-10,14,16,20-tetrone
SMILESO=C1OC(=O)C2C1C1C=CC2C23C(=O)C4C5CC6C4C(=O)C12C6C53
InChIInChI=1S/C19H14O5/c20-14-8-4-3-5-9(8)15(21)19-7-2-1-6(18(14,19)12(4)13(5)19)10-11(7)17(23)24-16(10)22/h1-2,4-13H,3H2
InChIKeyGDXYBKDRPNLDSM-UHFFFAOYSA-N
MW322.32 g/mol
LogP0.38
Rot. Bonds

About 15-oxaoctacyclo[10.5.2.12,8.02,11.03,7.04,11.05,9.013,17]icos-18-ene-10,14,16,20-tetrone

15-oxaoctacyclo[10.5.2.12,8.02,11.03,7.04,11.05,9.013,17]icos-18-ene-10,14,16,20-tetrone (PubChem CID 15921750) has the molecular formula C19H14O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is 15-oxaoctacyclo[10.5.2.12,8.02,11.03,7.04,11.05,9.013,17]icos-18-ene-10,14,16,20-tetrone.

Molecular Properties

Compound Name15-oxaoctacyclo[10.5.2.12,8.02,11.03,7.04,11.05,9.013,17]icos-18-ene-10,14,16,20-tetrone
PubChem CID15921750
Molecular FormulaC19H14O5
Molecular Weight322.32 g/mol
Exact Mass322.08
IUPAC Name15-oxaoctacyclo[10.5.2.12,8.02,11.03,7.04,11.05,9.013,17]icos-18-ene-10,14,16,20-tetrone
SMILESO=C1OC(=O)C2C1C1C=CC2C23C(=O)C4C5CC6C4C(=O)C12C6C53
InChIInChI=1S/C19H14O5/c20-14-8-4-3-5-9(8)15(21)19-7-2-1-6(18(14,19)12(4)13(5)19)10-11(7)17(23)24-16(10)22/h1-2,4-13H,3H2
InChIKeyGDXYBKDRPNLDSM-UHFFFAOYSA-N
XLogP0.38
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2S,3S,4R,5R,7S,8R,9S,11R,12R,13R,15S)-octacyclo[10.3.2.12,8.02,11.03,7.04,11.05,9.013,15]octadec-16-ene-10,18-dione
CID 101237452
(1S,2R,6S,7S,8R,10S)-4-oxatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124604678
(1R,2R,6S,7R,8S,10R)-4-oxatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 99726446
(1S,3R,4S,6S,7R,8S,9S,10R,13S,16R)-octacyclo[8.6.0.01,6.03,9.04,8.06,13.07,11.012,16]hexadec-14-ene-2,5-dione
CID 98556936
(1R,2R,7R,8R,9S,13S)-11-oxapentacyclo[6.5.2.22,7.02,7.09,13]heptadeca-4,14,16-triene-10,12-dione
CID 124923402
(1S,11R)-6,14-dioxahexacyclo[9.5.1.13,9.02,10.04,8.012,16]octadecane-5,7,13,15-tetrone
CID 130369269
(8S,12R)-4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone
CID 59360185
CID 125035456
CID 125035456
(1R,2S,6S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 135037907
(1'R,2'R,3'R,4'S,5'S,7'R,8'R,9'R,11'S,12'S,13'R,17'S)-15'-methylspiro[1,3-dithiolane-2,20'-15-azaoctacyclo[10.5.2.12,8.02,11.03,7.04,11.05,9.013,17]icos-18-ene]-10',14',16'-trione
CID 10716575
(1S,2R,3S,4S,5R,9S,10R,15R)-7-oxaheptacyclo[9.6.2.02,10.03,15.04,12.05,9.014,18]nonadec-16-ene-6,8-dione
CID 10265793
(1R,2S,6S,7R,8R,9S)-8,9-dibromo-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98064195

Frequently Asked Questions

What is the IUPAC name of 15-oxaoctacyclo[10.5.2.12,8.02,11.03,7.04,11.05,9.013,17]icos-18-ene-10,14,16,20-tetrone?
The IUPAC name of 15-oxaoctacyclo[10.5.2.12,8.02,11.03,7.04,11.05,9.013,17]icos-18-ene-10,14,16,20-tetrone (CID 15921750) is 15-oxaoctacyclo[10.5.2.12,8.02,11.03,7.04,11.05,9.013,17]icos-18-ene-10,14,16,20-tetrone.
What is the SMILES notation for 15-oxaoctacyclo[10.5.2.12,8.02,11.03,7.04,11.05,9.013,17]icos-18-ene-10,14,16,20-tetrone?
The canonical SMILES for 15-oxaoctacyclo[10.5.2.12,8.02,11.03,7.04,11.05,9.013,17]icos-18-ene-10,14,16,20-tetrone is O=C1OC(=O)C2C1C1C=CC2C23C(=O)C4C5CC6C4C(=O)C12C6C53.
What is the InChIKey of 15-oxaoctacyclo[10.5.2.12,8.02,11.03,7.04,11.05,9.013,17]icos-18-ene-10,14,16,20-tetrone?
The InChIKey is GDXYBKDRPNLDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O5/c20-14-8-4-3-5-9(8)15(21)19-7-2-1-6(18(14,19)12(4)13(5)19)10-11(7)17(23)24-16(10)22/h1-2,4-13H,3H2.
What are the key properties of 15-oxaoctacyclo[10.5.2.12,8.02,11.03,7.04,11.05,9.013,17]icos-18-ene-10,14,16,20-tetrone?
15-oxaoctacyclo[10.5.2.12,8.02,11.03,7.04,11.05,9.013,17]icos-18-ene-10,14,16,20-tetrone has a molecular weight of 322.32 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-oxaoctacyclo[10.5.2.12,8.02,11.03,7.04,11.05,9.013,17]icos-18-ene-10,14,16,20-tetrone is sourced from PubChem (CID 15921750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).