14-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9(19),10,12(20),16-octaene-13,15-dione

C19H10O3 — CID 58971145

IUPAC14-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9(19),10,12(20),16-octaene-13,15-dione
SMILESO=C1OC(=O)c2ccc3c4c(ccc1c24)Cc1ccccc1-3
InChIInChI=1S/C19H10O3/c20-18-14-6-5-11-9-10-3-1-2-4-12(10)13-7-8-15(19(21)22-18)17(14)16(11)13/h1-8H,9H2
InChIKeyIVAJFJXDMNERKB-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.72
Rot. Bonds

About 14-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9(19),10,12(20),16-octaene-13,15-dione

14-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9(19),10,12(20),16-octaene-13,15-dione (PubChem CID 58971145) has the molecular formula C19H10O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 14-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9(19),10,12(20),16-octaene-13,15-dione.

Molecular Properties

Compound Name14-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9(19),10,12(20),16-octaene-13,15-dione
PubChem CID58971145
Molecular FormulaC19H10O3
Molecular Weight286.29 g/mol
Exact Mass286.06
IUPAC Name14-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9(19),10,12(20),16-octaene-13,15-dione
SMILESO=C1OC(=O)c2ccc3c4c(ccc1c24)Cc1ccccc1-3
InChIInChI=1S/C19H10O3/c20-18-14-6-5-11-9-10-3-1-2-4-12(10)13-7-8-15(19(21)22-18)17(14)16(11)13/h1-8H,9H2
InChIKeyIVAJFJXDMNERKB-UHFFFAOYSA-N
XLogP3.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 827435
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CID 173356980
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CID 4669379
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CID 174355249
chromium;9H-fluorene
CID 161167703
9H-fluorene;trihydrofluoride
CID 172854917
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
9H-fluorene;sulfane;hydrate
CID 159057499

Frequently Asked Questions

What is the IUPAC name of 14-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9(19),10,12(20),16-octaene-13,15-dione?
The IUPAC name of 14-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9(19),10,12(20),16-octaene-13,15-dione (CID 58971145) is 14-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9(19),10,12(20),16-octaene-13,15-dione.
What is the SMILES notation for 14-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9(19),10,12(20),16-octaene-13,15-dione?
The canonical SMILES for 14-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9(19),10,12(20),16-octaene-13,15-dione is O=C1OC(=O)c2ccc3c4c(ccc1c24)Cc1ccccc1-3.
What is the InChIKey of 14-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9(19),10,12(20),16-octaene-13,15-dione?
The InChIKey is IVAJFJXDMNERKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10O3/c20-18-14-6-5-11-9-10-3-1-2-4-12(10)13-7-8-15(19(21)22-18)17(14)16(11)13/h1-8H,9H2.
What are the key properties of 14-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9(19),10,12(20),16-octaene-13,15-dione?
14-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9(19),10,12(20),16-octaene-13,15-dione has a molecular weight of 286.29 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9(19),10,12(20),16-octaene-13,15-dione is sourced from PubChem (CID 58971145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).