spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,3'-oxolane]-2',5'-dione

C14H14O4 — CID 20789714

IUPACspiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,3'-oxolane]-2',5'-dione
SMILESO=C1CC2(CC3OC2C2C4C=CC(C4)C32)C(=O)O1
InChIInChI=1S/C14H14O4/c15-9-5-14(13(16)18-9)4-8-10-6-1-2-7(3-6)11(10)12(14)17-8/h1-2,6-8,10-12H,3-5H2
InChIKeyGLRZCWZHEMNPCK-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.06
Rot. Bonds

About spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,3'-oxolane]-2',5'-dione

spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,3'-oxolane]-2',5'-dione (PubChem CID 20789714) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,3'-oxolane]-2',5'-dione.

Molecular Properties

Compound Namespiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,3'-oxolane]-2',5'-dione
PubChem CID20789714
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Namespiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,3'-oxolane]-2',5'-dione
SMILESO=C1CC2(CC3OC2C2C4C=CC(C4)C32)C(=O)O1
InChIInChI=1S/C14H14O4/c15-9-5-14(13(16)18-9)4-8-10-6-1-2-7(3-6)11(10)12(14)17-8/h1-2,6-8,10-12H,3-5H2
InChIKeyGLRZCWZHEMNPCK-UHFFFAOYSA-N
XLogP1.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.06
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'}

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Frequently Asked Questions

What is the IUPAC name of spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,3'-oxolane]-2',5'-dione?
The IUPAC name of spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,3'-oxolane]-2',5'-dione (CID 20789714) is spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,3'-oxolane]-2',5'-dione.
What is the SMILES notation for spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,3'-oxolane]-2',5'-dione?
The canonical SMILES for spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,3'-oxolane]-2',5'-dione is O=C1CC2(CC3OC2C2C4C=CC(C4)C32)C(=O)O1.
What is the InChIKey of spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,3'-oxolane]-2',5'-dione?
The InChIKey is GLRZCWZHEMNPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c15-9-5-14(13(16)18-9)4-8-10-6-1-2-7(3-6)11(10)12(14)17-8/h1-2,6-8,10-12H,3-5H2.
What are the key properties of spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,3'-oxolane]-2',5'-dione?
spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,3'-oxolane]-2',5'-dione has a molecular weight of 246.26 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,3'-oxolane]-2',5'-dione is sourced from PubChem (CID 20789714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).