(1R,7R)-4,10-dioxatricyclo[5.2.1.02,6]deca-2(6),8-diene-3,5-dione

C8H4O4 — CID 98116501

IUPAC(1R,7R)-4,10-dioxatricyclo[5.2.1.02,6]deca-2(6),8-diene-3,5-dione
SMILESO=C1OC(=O)C2=C1[C@H]1C=C[C@H]2O1
InChIInChI=1S/C8H4O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h1-4H/t3-,4-/m1/s1
InChIKeyGUXFBTSMGPMSKL-QWWZWVQMSA-N
MW164.12 g/mol
LogP-0.30
Rot. Bonds

About (1R,7R)-4,10-dioxatricyclo[5.2.1.02,6]deca-2(6),8-diene-3,5-dione

(1R,7R)-4,10-dioxatricyclo[5.2.1.02,6]deca-2(6),8-diene-3,5-dione (PubChem CID 98116501) has the molecular formula C8H4O4 and a molecular weight of 164.12 g/mol. Its IUPAC name is (1R,7R)-4,10-dioxatricyclo[5.2.1.02,6]deca-2(6),8-diene-3,5-dione.

Molecular Properties

Compound Name(1R,7R)-4,10-dioxatricyclo[5.2.1.02,6]deca-2(6),8-diene-3,5-dione
PubChem CID98116501
Molecular FormulaC8H4O4
Molecular Weight164.12 g/mol
Exact Mass164.01
IUPAC Name(1R,7R)-4,10-dioxatricyclo[5.2.1.02,6]deca-2(6),8-diene-3,5-dione
SMILESO=C1OC(=O)C2=C1[C@H]1C=C[C@H]2O1
InChIInChI=1S/C8H4O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h1-4H/t3-,4-/m1/s1
InChIKeyGUXFBTSMGPMSKL-QWWZWVQMSA-N
XLogP-0.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,7R)-4,10-dioxatricyclo[5.2.1.02,6]deca-2(6),8-diene-3,5-dione with MolForge

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Related Compounds

7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid
CID 12611561
3,4-dicyclopentylfuran-2,5-dione
CID 57026233
9-oxa-2,3-diazatricyclo[9.2.2.24,7]heptadeca-1(14),2,4,6,11(15),12,16-heptaene-8,10-dione
CID 141471637
(1R,7S)-4,8-dioxatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione
CID 122583441
(1R,5R)-3,6-dioxabicyclo[3.1.0]hexane-2,4-dione
CID 98050944
(1R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]deca-2,5,8-triene
CID 11137339
21,22-dioxaheptacyclo[12.6.1.14,11.02,13.03,12.05,10.015,20]docosa-5,7,9,15,17,19-hexaene;11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 159133758
7-methyl-3a,6-dihydro-2-benzofuran-1,3-dione
CID 91476741
2-benzofuran-1,3-dione
CID 123741998
2-benzofuran-1,3-dione
CID 163894732
6,12-dibromo-20-oxapentacyclo[15.2.1.02,16.03,8.010,15]icosa-2(16),3(8),4,6,10(15),11,13,18-octaen-9-one
CID 130261221
3-methoxy-2-oxabicyclo[2.2.1]hept-5-en-7-one
CID 130037538

Frequently Asked Questions

What is the IUPAC name of (1R,7R)-4,10-dioxatricyclo[5.2.1.02,6]deca-2(6),8-diene-3,5-dione?
The IUPAC name of (1R,7R)-4,10-dioxatricyclo[5.2.1.02,6]deca-2(6),8-diene-3,5-dione (CID 98116501) is (1R,7R)-4,10-dioxatricyclo[5.2.1.02,6]deca-2(6),8-diene-3,5-dione.
What is the SMILES notation for (1R,7R)-4,10-dioxatricyclo[5.2.1.02,6]deca-2(6),8-diene-3,5-dione?
The canonical SMILES for (1R,7R)-4,10-dioxatricyclo[5.2.1.02,6]deca-2(6),8-diene-3,5-dione is O=C1OC(=O)C2=C1[C@H]1C=C[C@H]2O1.
What is the InChIKey of (1R,7R)-4,10-dioxatricyclo[5.2.1.02,6]deca-2(6),8-diene-3,5-dione?
The InChIKey is GUXFBTSMGPMSKL-QWWZWVQMSA-N. The full InChI is InChI=1S/C8H4O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h1-4H/t3-,4-/m1/s1.
What are the key properties of (1R,7R)-4,10-dioxatricyclo[5.2.1.02,6]deca-2(6),8-diene-3,5-dione?
(1R,7R)-4,10-dioxatricyclo[5.2.1.02,6]deca-2(6),8-diene-3,5-dione has a molecular weight of 164.12 g/mol, XLogP of -0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R)-4,10-dioxatricyclo[5.2.1.02,6]deca-2(6),8-diene-3,5-dione is sourced from PubChem (CID 98116501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).