(3R)-2,2,4,4-tetramethyl-1-oxaspiro[2.4]hept-6-en-5-one

C10H14O2 — CID 15744301

IUPAC(3R)-2,2,4,4-tetramethyl-1-oxaspiro[2.4]hept-6-en-5-one
SMILESCC1(C)O[C@@]12C=CC(=O)C2(C)C
InChIInChI=1S/C10H14O2/c1-8(2)7(11)5-6-10(8)9(3,4)12-10/h5-6H,1-4H3/t10-/m1/s1
InChIKeyNENOAOCJKXEXQF-SNVBAGLBSA-N
MW166.22 g/mol
LogP1.70
Rot. Bonds

About (3R)-2,2,4,4-tetramethyl-1-oxaspiro[2.4]hept-6-en-5-one

(3R)-2,2,4,4-tetramethyl-1-oxaspiro[2.4]hept-6-en-5-one (PubChem CID 15744301) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (3R)-2,2,4,4-tetramethyl-1-oxaspiro[2.4]hept-6-en-5-one.

Molecular Properties

Compound Name(3R)-2,2,4,4-tetramethyl-1-oxaspiro[2.4]hept-6-en-5-one
PubChem CID15744301
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(3R)-2,2,4,4-tetramethyl-1-oxaspiro[2.4]hept-6-en-5-one
SMILESCC1(C)O[C@@]12C=CC(=O)C2(C)C
InChIInChI=1S/C10H14O2/c1-8(2)7(11)5-6-10(8)9(3,4)12-10/h5-6H,1-4H3/t10-/m1/s1
InChIKeyNENOAOCJKXEXQF-SNVBAGLBSA-N
XLogP1.70
TPSA29.60 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 ≤ 51.70
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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Related Compounds

2,2,6-Trimethyl-1-(3-oxo-but-1-enyl)-7-oxa-bicyclo[4.1.0]hept-4-en-3-one
CID 5363805
2,2,4,4,7-Pentamethyl-1-oxaspiro[2.4]hept-6-en-5-one
CID 102235030
(1-Ethyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate
CID 70172973
(E)-1-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-4-en-1-yl)but-2-en-1-one
CID 88782240
(6R)-1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]-7-oxabicyclo[4.1.0]hept-4-en-3-one
CID 130436895
1-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]hept-4-en-1-yl)but-2-en-1-one
CID 173442803
2,2-Dimethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one
CID 71372651
(2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one
CID 71507304
1,2,2,4,6-Pentamethyl-7-oxabicyclo[4.1.0]hept-4-en-3-one
CID 85897962
5-Methyl-5-(2-methyl-4-oxopentan-2-yl)furan-2-one
CID 101860931
(3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one
CID 102190726

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2,4,4-tetramethyl-1-oxaspiro[2.4]hept-6-en-5-one?
The IUPAC name of (3R)-2,2,4,4-tetramethyl-1-oxaspiro[2.4]hept-6-en-5-one (CID 15744301) is (3R)-2,2,4,4-tetramethyl-1-oxaspiro[2.4]hept-6-en-5-one.
What is the SMILES notation for (3R)-2,2,4,4-tetramethyl-1-oxaspiro[2.4]hept-6-en-5-one?
The canonical SMILES for (3R)-2,2,4,4-tetramethyl-1-oxaspiro[2.4]hept-6-en-5-one is CC1(C)O[C@@]12C=CC(=O)C2(C)C.
What is the InChIKey of (3R)-2,2,4,4-tetramethyl-1-oxaspiro[2.4]hept-6-en-5-one?
The InChIKey is NENOAOCJKXEXQF-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14O2/c1-8(2)7(11)5-6-10(8)9(3,4)12-10/h5-6H,1-4H3/t10-/m1/s1.
What are the key properties of (3R)-2,2,4,4-tetramethyl-1-oxaspiro[2.4]hept-6-en-5-one?
(3R)-2,2,4,4-tetramethyl-1-oxaspiro[2.4]hept-6-en-5-one has a molecular weight of 166.22 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,4,4-tetramethyl-1-oxaspiro[2.4]hept-6-en-5-one is sourced from PubChem (CID 15744301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).