(1'R,6'R,8'R)-spiro[1,3-dioxolane-2,12'-tricyclo[6.2.2.01,6]dodec-9-ene]-2'-one

C14H18O3 — CID 135043208

IUPAC(1'R,6'R,8'R)-spiro[1,3-dioxolane-2,12'-tricyclo[6.2.2.01,6]dodec-9-ene]-2'-one
SMILESO=C1CCC[C@@H]2C[C@@H]3C=C[C@]12CC31OCCO1
InChIInChI=1S/C14H18O3/c15-12-3-1-2-10-8-11-4-5-13(10,12)9-14(11)16-6-7-17-14/h4-5,10-11H,1-3,6-9H2/t10-,11+,13-/m1/s1
InChIKeyQVELBPLIMOSQMY-NTZNESFSSA-N
MW234.29 g/mol
LogP2.06
Rot. Bonds

About (1'R,6'R,8'R)-spiro[1,3-dioxolane-2,12'-tricyclo[6.2.2.01,6]dodec-9-ene]-2'-one

(1'R,6'R,8'R)-spiro[1,3-dioxolane-2,12'-tricyclo[6.2.2.01,6]dodec-9-ene]-2'-one (PubChem CID 135043208) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (1'R,6'R,8'R)-spiro[1,3-dioxolane-2,12'-tricyclo[6.2.2.01,6]dodec-9-ene]-2'-one.

Molecular Properties

Compound Name(1'R,6'R,8'R)-spiro[1,3-dioxolane-2,12'-tricyclo[6.2.2.01,6]dodec-9-ene]-2'-one
PubChem CID135043208
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(1'R,6'R,8'R)-spiro[1,3-dioxolane-2,12'-tricyclo[6.2.2.01,6]dodec-9-ene]-2'-one
SMILESO=C1CCC[C@@H]2C[C@@H]3C=C[C@]12CC31OCCO1
InChIInChI=1S/C14H18O3/c15-12-3-1-2-10-8-11-4-5-13(10,12)9-14(11)16-6-7-17-14/h4-5,10-11H,1-3,6-9H2/t10-,11+,13-/m1/s1
InChIKeyQVELBPLIMOSQMY-NTZNESFSSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.06
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 (1'R,6'R,8'R)-spiro[1,3-dioxolane-2,12'-tricyclo[6.2.2.01,6]dodec-9-ene]-2'-one?
The IUPAC name of (1'R,6'R,8'R)-spiro[1,3-dioxolane-2,12'-tricyclo[6.2.2.01,6]dodec-9-ene]-2'-one (CID 135043208) is (1'R,6'R,8'R)-spiro[1,3-dioxolane-2,12'-tricyclo[6.2.2.01,6]dodec-9-ene]-2'-one.
What is the SMILES notation for (1'R,6'R,8'R)-spiro[1,3-dioxolane-2,12'-tricyclo[6.2.2.01,6]dodec-9-ene]-2'-one?
The canonical SMILES for (1'R,6'R,8'R)-spiro[1,3-dioxolane-2,12'-tricyclo[6.2.2.01,6]dodec-9-ene]-2'-one is O=C1CCC[C@@H]2C[C@@H]3C=C[C@]12CC31OCCO1.
What is the InChIKey of (1'R,6'R,8'R)-spiro[1,3-dioxolane-2,12'-tricyclo[6.2.2.01,6]dodec-9-ene]-2'-one?
The InChIKey is QVELBPLIMOSQMY-NTZNESFSSA-N. The full InChI is InChI=1S/C14H18O3/c15-12-3-1-2-10-8-11-4-5-13(10,12)9-14(11)16-6-7-17-14/h4-5,10-11H,1-3,6-9H2/t10-,11+,13-/m1/s1.
What are the key properties of (1'R,6'R,8'R)-spiro[1,3-dioxolane-2,12'-tricyclo[6.2.2.01,6]dodec-9-ene]-2'-one?
(1'R,6'R,8'R)-spiro[1,3-dioxolane-2,12'-tricyclo[6.2.2.01,6]dodec-9-ene]-2'-one has a molecular weight of 234.29 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,6'R,8'R)-spiro[1,3-dioxolane-2,12'-tricyclo[6.2.2.01,6]dodec-9-ene]-2'-one is sourced from PubChem (CID 135043208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).