11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid

C11H12O4 — CID 20686278

IUPAC11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
SMILESO=C(O)C1CC2OC1C1C3C=CC(O3)C21
InChIInChI=1S/C11H12O4/c12-11(13)4-3-7-8-5-1-2-6(14-5)9(8)10(4)15-7/h1-2,4-10H,3H2,(H,12,13)
InChIKeyUMNGSAVLCMLEME-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.43
Rot. Bonds1

About 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid

11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid (PubChem CID 20686278) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid.

Molecular Properties

Compound Name11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
PubChem CID20686278
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
SMILESO=C(O)C1CC2OC1C1C3C=CC(O3)C21
InChIInChI=1S/C11H12O4/c12-11(13)4-3-7-8-5-1-2-6(14-5)9(8)10(4)15-7/h1-2,4-10H,3H2,(H,12,13)
InChIKeyUMNGSAVLCMLEME-UHFFFAOYSA-N
XLogP0.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid?
The IUPAC name of 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid (CID 20686278) is 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid.
What is the SMILES notation for 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid?
The canonical SMILES for 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid is O=C(O)C1CC2OC1C1C3C=CC(O3)C21.
What is the InChIKey of 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid?
The InChIKey is UMNGSAVLCMLEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c12-11(13)4-3-7-8-5-1-2-6(14-5)9(8)10(4)15-7/h1-2,4-10H,3H2,(H,12,13).
What are the key properties of 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid?
11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid has a molecular weight of 208.21 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid is sourced from PubChem (CID 20686278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).