(1S,6R)-8,10-dioxatricyclo[4.3.1.01,6]decane-7,9-dione

C8H8O4 — CID 88796151

IUPAC(1S,6R)-8,10-dioxatricyclo[4.3.1.01,6]decane-7,9-dione
SMILESO=C1OC(=O)[C@]23CCCC[C@]12O3
InChIInChI=1S/C8H8O4/c9-5-7-3-1-2-4-8(7,12-7)6(10)11-5/h1-4H2/t7-,8+
InChIKeyIACGZJAPLUZYGK-OCAPTIKFSA-N
MW168.15 g/mol
LogP0.15
Rot. Bonds

About (1S,6R)-8,10-dioxatricyclo[4.3.1.01,6]decane-7,9-dione

(1S,6R)-8,10-dioxatricyclo[4.3.1.01,6]decane-7,9-dione (PubChem CID 88796151) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is (1S,6R)-8,10-dioxatricyclo[4.3.1.01,6]decane-7,9-dione.

Molecular Properties

Compound Name(1S,6R)-8,10-dioxatricyclo[4.3.1.01,6]decane-7,9-dione
PubChem CID88796151
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name(1S,6R)-8,10-dioxatricyclo[4.3.1.01,6]decane-7,9-dione
SMILESO=C1OC(=O)[C@]23CCCC[C@]12O3
InChIInChI=1S/C8H8O4/c9-5-7-3-1-2-4-8(7,12-7)6(10)11-5/h1-4H2/t7-,8+
InChIKeyIACGZJAPLUZYGK-OCAPTIKFSA-N
XLogP0.15
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-8,10-dioxatricyclo[4.3.1.01,6]decane-7,9-dione?
The IUPAC name of (1S,6R)-8,10-dioxatricyclo[4.3.1.01,6]decane-7,9-dione (CID 88796151) is (1S,6R)-8,10-dioxatricyclo[4.3.1.01,6]decane-7,9-dione.
What is the SMILES notation for (1S,6R)-8,10-dioxatricyclo[4.3.1.01,6]decane-7,9-dione?
The canonical SMILES for (1S,6R)-8,10-dioxatricyclo[4.3.1.01,6]decane-7,9-dione is O=C1OC(=O)[C@]23CCCC[C@]12O3.
What is the InChIKey of (1S,6R)-8,10-dioxatricyclo[4.3.1.01,6]decane-7,9-dione?
The InChIKey is IACGZJAPLUZYGK-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H8O4/c9-5-7-3-1-2-4-8(7,12-7)6(10)11-5/h1-4H2/t7-,8+.
What are the key properties of (1S,6R)-8,10-dioxatricyclo[4.3.1.01,6]decane-7,9-dione?
(1S,6R)-8,10-dioxatricyclo[4.3.1.01,6]decane-7,9-dione has a molecular weight of 168.15 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-8,10-dioxatricyclo[4.3.1.01,6]decane-7,9-dione is sourced from PubChem (CID 88796151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).