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

C14H16O3 — CID 20789713

IUPACspiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,4'-oxolane]-2'-one
SMILESO=C1CC2(CO1)CC1OC2C2C3C=CC(C3)C12
InChIInChI=1S/C14H16O3/c15-10-5-14(6-16-10)4-9-11-7-1-2-8(3-7)12(11)13(14)17-9/h1-2,7-9,11-13H,3-6H2
InChIKeyDTOWTKFZTJUTRC-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.53
Rot. Bonds

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

spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,4'-oxolane]-2'-one (PubChem CID 20789713) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,4'-oxolane]-2'-one.

Molecular Properties

Compound Namespiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,4'-oxolane]-2'-one
PubChem CID20789713
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Namespiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,4'-oxolane]-2'-one
SMILESO=C1CC2(CO1)CC1OC2C2C3C=CC(C3)C12
InChIInChI=1S/C14H16O3/c15-10-5-14(6-16-10)4-9-11-7-1-2-8(3-7)12(11)13(14)17-9/h1-2,7-9,11-13H,3-6H2
InChIKeyDTOWTKFZTJUTRC-UHFFFAOYSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
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 spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,4'-oxolane]-2'-one?
The IUPAC name of spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,4'-oxolane]-2'-one (CID 20789713) is spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,4'-oxolane]-2'-one.
What is the SMILES notation for spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,4'-oxolane]-2'-one?
The canonical SMILES for spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,4'-oxolane]-2'-one is O=C1CC2(CO1)CC1OC2C2C3C=CC(C3)C12.
What is the InChIKey of spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,4'-oxolane]-2'-one?
The InChIKey is DTOWTKFZTJUTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-10-5-14(6-16-10)4-9-11-7-1-2-8(3-7)12(11)13(14)17-9/h1-2,7-9,11-13H,3-6H2.
What are the key properties of spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,4'-oxolane]-2'-one?
spiro[11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,4'-oxolane]-2'-one has a molecular weight of 232.28 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 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-9,4'-oxolane]-2'-one is sourced from PubChem (CID 20789713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).