6,8,10-trioxatetracyclo[7.3.0.03,7.04,12]dodecan-2-one

C9H10O4 — CID 73209439

IUPAC6,8,10-trioxatetracyclo[7.3.0.03,7.04,12]dodecan-2-one
SMILESO=C1C2C3OCC2C2COC(O3)C12
InChIInChI=1S/C9H10O4/c10-7-5-3-1-11-8(5)13-9-6(7)4(3)2-12-9/h3-6,8-9H,1-2H2
InChIKeyLFKONQGXXLWTJU-UHFFFAOYSA-N
MW182.17 g/mol
LogP-0.22
Rot. Bonds

About 6,8,10-trioxatetracyclo[7.3.0.03,7.04,12]dodecan-2-one

6,8,10-trioxatetracyclo[7.3.0.03,7.04,12]dodecan-2-one (PubChem CID 73209439) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 6,8,10-trioxatetracyclo[7.3.0.03,7.04,12]dodecan-2-one.

Molecular Properties

Compound Name6,8,10-trioxatetracyclo[7.3.0.03,7.04,12]dodecan-2-one
PubChem CID73209439
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name6,8,10-trioxatetracyclo[7.3.0.03,7.04,12]dodecan-2-one
SMILESO=C1C2C3OCC2C2COC(O3)C12
InChIInChI=1S/C9H10O4/c10-7-5-3-1-11-8(5)13-9-6(7)4(3)2-12-9/h3-6,8-9H,1-2H2
InChIKeyLFKONQGXXLWTJU-UHFFFAOYSA-N
XLogP-0.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8,10-trioxatetracyclo[7.3.0.03,7.04,12]dodecan-2-one?
The IUPAC name of 6,8,10-trioxatetracyclo[7.3.0.03,7.04,12]dodecan-2-one (CID 73209439) is 6,8,10-trioxatetracyclo[7.3.0.03,7.04,12]dodecan-2-one.
What is the SMILES notation for 6,8,10-trioxatetracyclo[7.3.0.03,7.04,12]dodecan-2-one?
The canonical SMILES for 6,8,10-trioxatetracyclo[7.3.0.03,7.04,12]dodecan-2-one is O=C1C2C3OCC2C2COC(O3)C12.
What is the InChIKey of 6,8,10-trioxatetracyclo[7.3.0.03,7.04,12]dodecan-2-one?
The InChIKey is LFKONQGXXLWTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c10-7-5-3-1-11-8(5)13-9-6(7)4(3)2-12-9/h3-6,8-9H,1-2H2.
What are the key properties of 6,8,10-trioxatetracyclo[7.3.0.03,7.04,12]dodecan-2-one?
6,8,10-trioxatetracyclo[7.3.0.03,7.04,12]dodecan-2-one has a molecular weight of 182.17 g/mol, XLogP of -0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,10-trioxatetracyclo[7.3.0.03,7.04,12]dodecan-2-one is sourced from PubChem (CID 73209439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).