(5R)-6-oxaspiro[4.6]undec-10-en-4-one

C10H14O2 — CID 102184298

IUPAC(5R)-6-oxaspiro[4.6]undec-10-en-4-one
SMILESO=C1CCC[C@@]12C=CCCCO2
InChIInChI=1S/C10H14O2/c11-9-5-4-7-10(9)6-2-1-3-8-12-10/h2,6H,1,3-5,7-8H2/t10-/m0/s1
InChIKeyYUBGGPQBRSCKLU-JTQLQIEISA-N
MW166.22 g/mol
LogP1.84
Rot. Bonds

About (5R)-6-oxaspiro[4.6]undec-10-en-4-one

(5R)-6-oxaspiro[4.6]undec-10-en-4-one (PubChem CID 102184298) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (5R)-6-oxaspiro[4.6]undec-10-en-4-one.

Molecular Properties

Compound Name(5R)-6-oxaspiro[4.6]undec-10-en-4-one
PubChem CID102184298
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(5R)-6-oxaspiro[4.6]undec-10-en-4-one
SMILESO=C1CCC[C@@]12C=CCCCO2
InChIInChI=1S/C10H14O2/c11-9-5-4-7-10(9)6-2-1-3-8-12-10/h2,6H,1,3-5,7-8H2/t10-/m0/s1
InChIKeyYUBGGPQBRSCKLU-JTQLQIEISA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.84
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

(5R)-1-oxaspiro[4.4]non-3-en-9-one
CID 101093124
(2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one
CID 102184295
5-butyl-2H-furan-5-carbaldehyde
CID 174716932
1-Oxaspiro[4.5]dec-3-en-6-one
CID 14102934
(5S)-1-oxaspiro[4.4]non-3-en-9-one
CID 15891652
1-Oxaspiro[4.4]non-3-en-9-one
CID 15891653
1-Ethoxybicyclo[3.2.0]hept-6-en-2-one
CID 23269150
(1S,5S)-1-Ethoxybicyclo[3.2.0]hept-6-en-2-one
CID 71372559
(2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one
CID 102184296
(5R)-6-oxaspiro[4.5]dec-9-en-4-one
CID 102184297
2-But-3-enoxy-2-ethenylcyclopentan-1-one
CID 102184310
2-Ethenyl-2-pent-4-enoxycyclopentan-1-one
CID 102184311

Frequently Asked Questions

What is the IUPAC name of (5R)-6-oxaspiro[4.6]undec-10-en-4-one?
The IUPAC name of (5R)-6-oxaspiro[4.6]undec-10-en-4-one (CID 102184298) is (5R)-6-oxaspiro[4.6]undec-10-en-4-one.
What is the SMILES notation for (5R)-6-oxaspiro[4.6]undec-10-en-4-one?
The canonical SMILES for (5R)-6-oxaspiro[4.6]undec-10-en-4-one is O=C1CCC[C@@]12C=CCCCO2.
What is the InChIKey of (5R)-6-oxaspiro[4.6]undec-10-en-4-one?
The InChIKey is YUBGGPQBRSCKLU-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14O2/c11-9-5-4-7-10(9)6-2-1-3-8-12-10/h2,6H,1,3-5,7-8H2/t10-/m0/s1.
What are the key properties of (5R)-6-oxaspiro[4.6]undec-10-en-4-one?
(5R)-6-oxaspiro[4.6]undec-10-en-4-one has a molecular weight of 166.22 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-oxaspiro[4.6]undec-10-en-4-one is sourced from PubChem (CID 102184298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).