(6R)-7-oxaspiro[5.6]dodec-9-en-5-one

C11H16O2 — CID 125453613

IUPAC(6R)-7-oxaspiro[5.6]dodec-9-en-5-one
SMILESO=C1CCCC[C@@]12CCC=CCO2
InChIInChI=1S/C11H16O2/c12-10-6-2-4-8-11(10)7-3-1-5-9-13-11/h1,5H,2-4,6-9H2/t11-/m0/s1
InChIKeyMJWHJSKLAJAAAQ-NSHDSACASA-N
MW180.25 g/mol
LogP2.23
Rot. Bonds

About (6R)-7-oxaspiro[5.6]dodec-9-en-5-one

(6R)-7-oxaspiro[5.6]dodec-9-en-5-one (PubChem CID 125453613) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (6R)-7-oxaspiro[5.6]dodec-9-en-5-one.

Molecular Properties

Compound Name(6R)-7-oxaspiro[5.6]dodec-9-en-5-one
PubChem CID125453613
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(6R)-7-oxaspiro[5.6]dodec-9-en-5-one
SMILESO=C1CCCC[C@@]12CCC=CCO2
InChIInChI=1S/C11H16O2/c12-10-6-2-4-8-11(10)7-3-1-5-9-13-11/h1,5H,2-4,6-9H2/t11-/m0/s1
InChIKeyMJWHJSKLAJAAAQ-NSHDSACASA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-oxaspiro[5.6]dodec-9-en-5-one
CID 131481474
1-oxaspiro[4.5]decan-6-one
CID 14686607
(6R)-1-oxaspiro[5.5]undecan-11-one
CID 125451232
(5R)-1-oxaspiro[4.4]nonan-9-one
CID 10630574
(5S)-1-oxaspiro[4.4]nonan-9-one
CID 10606823
1,6,8-trioxaspiro[6.6]trideca-3,10-diene
CID 164838316
spiro[5.6]dodecane-5,12-dione
CID 534624
spiro[13.14]octacosan-28-one
CID 12738452
16,16-dimethyl-1-oxacyclohexadec-12-en-2-one
CID 78023283
11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione
CID 13127875
(5E,12Z)-1,8-dioxacyclotetradeca-5,12-diene-2,9-dione
CID 121015196
(7Z)-cyclododec-7-ene-1,2-dione
CID 15642693

Frequently Asked Questions

What is the IUPAC name of (6R)-7-oxaspiro[5.6]dodec-9-en-5-one?
The IUPAC name of (6R)-7-oxaspiro[5.6]dodec-9-en-5-one (CID 125453613) is (6R)-7-oxaspiro[5.6]dodec-9-en-5-one.
What is the SMILES notation for (6R)-7-oxaspiro[5.6]dodec-9-en-5-one?
The canonical SMILES for (6R)-7-oxaspiro[5.6]dodec-9-en-5-one is O=C1CCCC[C@@]12CCC=CCO2.
What is the InChIKey of (6R)-7-oxaspiro[5.6]dodec-9-en-5-one?
The InChIKey is MJWHJSKLAJAAAQ-NSHDSACASA-N. The full InChI is InChI=1S/C11H16O2/c12-10-6-2-4-8-11(10)7-3-1-5-9-13-11/h1,5H,2-4,6-9H2/t11-/m0/s1.
What are the key properties of (6R)-7-oxaspiro[5.6]dodec-9-en-5-one?
(6R)-7-oxaspiro[5.6]dodec-9-en-5-one has a molecular weight of 180.25 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-7-oxaspiro[5.6]dodec-9-en-5-one is sourced from PubChem (CID 125453613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).