(5R)-1,2-diethyl-12-oxadispiro[4.0.56.15]dodec-1-en-3-one

C15H22O2 — CID 102190721

IUPAC(5R)-1,2-diethyl-12-oxadispiro[4.0.56.15]dodec-1-en-3-one
SMILESCCC1=C(CC)[C@@]2(CC1=O)OC21CCCCC1
InChIInChI=1S/C15H22O2/c1-3-11-12(4-2)15(10-13(11)16)14(17-15)8-6-5-7-9-14/h3-10H2,1-2H3/t15-/m1/s1
InChIKeyRRLKOBPJMYXSJZ-OAHLLOKOSA-N
MW234.34 g/mol
LogP3.55
Rot. Bonds2

About (5R)-1,2-diethyl-12-oxadispiro[4.0.56.15]dodec-1-en-3-one

(5R)-1,2-diethyl-12-oxadispiro[4.0.56.15]dodec-1-en-3-one (PubChem CID 102190721) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (5R)-1,2-diethyl-12-oxadispiro[4.0.56.15]dodec-1-en-3-one.

Molecular Properties

Compound Name(5R)-1,2-diethyl-12-oxadispiro[4.0.56.15]dodec-1-en-3-one
PubChem CID102190721
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(5R)-1,2-diethyl-12-oxadispiro[4.0.56.15]dodec-1-en-3-one
SMILESCCC1=C(CC)[C@@]2(CC1=O)OC21CCCCC1
InChIInChI=1S/C15H22O2/c1-3-11-12(4-2)15(10-13(11)16)14(17-15)8-6-5-7-9-14/h3-10H2,1-2H3/t15-/m1/s1
InChIKeyRRLKOBPJMYXSJZ-OAHLLOKOSA-N
XLogP3.55
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-1,2-diethyl-12-oxadispiro[4.0.56.15]dodec-1-en-3-one?
The IUPAC name of (5R)-1,2-diethyl-12-oxadispiro[4.0.56.15]dodec-1-en-3-one (CID 102190721) is (5R)-1,2-diethyl-12-oxadispiro[4.0.56.15]dodec-1-en-3-one.
What is the SMILES notation for (5R)-1,2-diethyl-12-oxadispiro[4.0.56.15]dodec-1-en-3-one?
The canonical SMILES for (5R)-1,2-diethyl-12-oxadispiro[4.0.56.15]dodec-1-en-3-one is CCC1=C(CC)[C@@]2(CC1=O)OC21CCCCC1.
What is the InChIKey of (5R)-1,2-diethyl-12-oxadispiro[4.0.56.15]dodec-1-en-3-one?
The InChIKey is RRLKOBPJMYXSJZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-11-12(4-2)15(10-13(11)16)14(17-15)8-6-5-7-9-14/h3-10H2,1-2H3/t15-/m1/s1.
What are the key properties of (5R)-1,2-diethyl-12-oxadispiro[4.0.56.15]dodec-1-en-3-one?
(5R)-1,2-diethyl-12-oxadispiro[4.0.56.15]dodec-1-en-3-one has a molecular weight of 234.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1,2-diethyl-12-oxadispiro[4.0.56.15]dodec-1-en-3-one is sourced from PubChem (CID 102190721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).