5,11-dioxatetracyclo[6.4.3.01,9.03,7]pentadec-14-ene-4,6,10,12-tetrone

C13H10O6 — CID 170049786

IUPAC5,11-dioxatetracyclo[6.4.3.01,9.03,7]pentadec-14-ene-4,6,10,12-tetrone
SMILESO=C1OC(=O)C2C1CC13CC=CC2C1C(=O)OC3=O
InChIInChI=1S/C13H10O6/c14-9-6-4-13-3-1-2-5(7(6)10(15)18-9)8(13)11(16)19-12(13)17/h1-2,5-8H,3-4H2
InChIKeyBYUUSSAKMXOVSL-UHFFFAOYSA-N
MW262.22 g/mol
LogP-0.03
Rot. Bonds

About 5,11-dioxatetracyclo[6.4.3.01,9.03,7]pentadec-14-ene-4,6,10,12-tetrone

5,11-dioxatetracyclo[6.4.3.01,9.03,7]pentadec-14-ene-4,6,10,12-tetrone (PubChem CID 170049786) has the molecular formula C13H10O6 and a molecular weight of 262.22 g/mol. Its IUPAC name is 5,11-dioxatetracyclo[6.4.3.01,9.03,7]pentadec-14-ene-4,6,10,12-tetrone.

Molecular Properties

Compound Name5,11-dioxatetracyclo[6.4.3.01,9.03,7]pentadec-14-ene-4,6,10,12-tetrone
PubChem CID170049786
Molecular FormulaC13H10O6
Molecular Weight262.22 g/mol
Exact Mass262.05
IUPAC Name5,11-dioxatetracyclo[6.4.3.01,9.03,7]pentadec-14-ene-4,6,10,12-tetrone
SMILESO=C1OC(=O)C2C1CC13CC=CC2C1C(=O)OC3=O
InChIInChI=1S/C13H10O6/c14-9-6-4-13-3-1-2-5(7(6)10(15)18-9)8(13)11(16)19-12(13)17/h1-2,5-8H,3-4H2
InChIKeyBYUUSSAKMXOVSL-UHFFFAOYSA-N
XLogP-0.03
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,11-dioxatetracyclo[6.4.3.01,9.03,7]pentadec-14-ene-4,6,10,12-tetrone?
The IUPAC name of 5,11-dioxatetracyclo[6.4.3.01,9.03,7]pentadec-14-ene-4,6,10,12-tetrone (CID 170049786) is 5,11-dioxatetracyclo[6.4.3.01,9.03,7]pentadec-14-ene-4,6,10,12-tetrone.
What is the SMILES notation for 5,11-dioxatetracyclo[6.4.3.01,9.03,7]pentadec-14-ene-4,6,10,12-tetrone?
The canonical SMILES for 5,11-dioxatetracyclo[6.4.3.01,9.03,7]pentadec-14-ene-4,6,10,12-tetrone is O=C1OC(=O)C2C1CC13CC=CC2C1C(=O)OC3=O.
What is the InChIKey of 5,11-dioxatetracyclo[6.4.3.01,9.03,7]pentadec-14-ene-4,6,10,12-tetrone?
The InChIKey is BYUUSSAKMXOVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O6/c14-9-6-4-13-3-1-2-5(7(6)10(15)18-9)8(13)11(16)19-12(13)17/h1-2,5-8H,3-4H2.
What are the key properties of 5,11-dioxatetracyclo[6.4.3.01,9.03,7]pentadec-14-ene-4,6,10,12-tetrone?
5,11-dioxatetracyclo[6.4.3.01,9.03,7]pentadec-14-ene-4,6,10,12-tetrone has a molecular weight of 262.22 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dioxatetracyclo[6.4.3.01,9.03,7]pentadec-14-ene-4,6,10,12-tetrone is sourced from PubChem (CID 170049786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).