1,4-dimethyl-5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dione

C10H12O4 — CID 3076047

IUPAC1,4-dimethyl-5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dione
SMILESCC12CCC3(C)OC(=O)C1C3C(=O)O2
InChIInChI=1S/C10H12O4/c1-9-3-4-10(2)6(8(12)13-9)5(9)7(11)14-10/h5-6H,3-4H2,1-2H3
InChIKeyVGVJHBAJIFZPJX-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.64
Rot. Bonds

About 1,4-dimethyl-5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dione

1,4-dimethyl-5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dione (PubChem CID 3076047) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 1,4-dimethyl-5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dione.

Molecular Properties

Compound Name1,4-dimethyl-5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dione
PubChem CID3076047
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name1,4-dimethyl-5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dione
SMILESCC12CCC3(C)OC(=O)C1C3C(=O)O2
InChIInChI=1S/C10H12O4/c1-9-3-4-10(2)6(8(12)13-9)5(9)7(11)14-10/h5-6H,3-4H2,1-2H3
InChIKeyVGVJHBAJIFZPJX-UHFFFAOYSA-N
XLogP0.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dione?
The IUPAC name of 1,4-dimethyl-5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dione (CID 3076047) is 1,4-dimethyl-5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dione.
What is the SMILES notation for 1,4-dimethyl-5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dione?
The canonical SMILES for 1,4-dimethyl-5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dione is CC12CCC3(C)OC(=O)C1C3C(=O)O2.
What is the InChIKey of 1,4-dimethyl-5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dione?
The InChIKey is VGVJHBAJIFZPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-9-3-4-10(2)6(8(12)13-9)5(9)7(11)14-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,4-dimethyl-5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dione?
1,4-dimethyl-5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dione has a molecular weight of 196.20 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dione is sourced from PubChem (CID 3076047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).