1,4-dioxaspiro[5.6]dodec-2-ene

C10H16O2 — CID 57322543

IUPAC1,4-dioxaspiro[5.6]dodec-2-ene
SMILESC1=COC2(CCCCCC2)CO1
InChIInChI=1S/C10H16O2/c1-2-4-6-10(5-3-1)9-11-7-8-12-10/h7-8H,1-6,9H2
InChIKeyUOCXXQBRTIYGQA-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.60
Rot. Bonds

About 1,4-dioxaspiro[5.6]dodec-2-ene

1,4-dioxaspiro[5.6]dodec-2-ene (PubChem CID 57322543) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,4-dioxaspiro[5.6]dodec-2-ene.

Molecular Properties

Compound Name1,4-dioxaspiro[5.6]dodec-2-ene
PubChem CID57322543
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1,4-dioxaspiro[5.6]dodec-2-ene
SMILESC1=COC2(CCCCCC2)CO1
InChIInChI=1S/C10H16O2/c1-2-4-6-10(5-3-1)9-11-7-8-12-10/h7-8H,1-6,9H2
InChIKeyUOCXXQBRTIYGQA-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[5.6]dodec-2-ene?
The IUPAC name of 1,4-dioxaspiro[5.6]dodec-2-ene (CID 57322543) is 1,4-dioxaspiro[5.6]dodec-2-ene.
What is the SMILES notation for 1,4-dioxaspiro[5.6]dodec-2-ene?
The canonical SMILES for 1,4-dioxaspiro[5.6]dodec-2-ene is C1=COC2(CCCCCC2)CO1.
What is the InChIKey of 1,4-dioxaspiro[5.6]dodec-2-ene?
The InChIKey is UOCXXQBRTIYGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-4-6-10(5-3-1)9-11-7-8-12-10/h7-8H,1-6,9H2.
What are the key properties of 1,4-dioxaspiro[5.6]dodec-2-ene?
1,4-dioxaspiro[5.6]dodec-2-ene has a molecular weight of 168.24 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[5.6]dodec-2-ene is sourced from PubChem (CID 57322543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).