1-Oxaspiro(4.5)dec-3-en-2-one, 4-(hydroxy(4-methylphenyl)methyl)-3-methyl-
Basic information
- CAS
86560-19-2- Standard SMILES
CC1=C(C(O)c2ccc(C)cc2)C2(CCCCC2)OC1=O- InChIKey
SQLNMIQIOMBGFP-UHFFFAOYSA-N- Molecular formula
- C18H22O3
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.15689456
Names & identifiers
- Preferred name
- 1-Oxaspiro(4.5)dec-3-en-2-one, 4-(hydroxy(4-methylphenyl)methyl)-3-methyl-
- IUPAC
- 4-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
Names & synonyms
BRN 50815974-(Hydroxy(4-methylphenyl)methyl)-3-methyl-1-oxaspiro(4.5)dec-3-en-2-one1-Oxaspiro(4.5)dec-3-en-2-one, 4-(hydroxy(4-methylphenyl)methyl)-3-methyl-4-Methylhydroxybenzyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-4 [French]DTXSID0010069244-Methylhydroxybenzyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-44-[Hydroxy(4-methylphenyl)methyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-oneRefChem:232775DTXCID90143379086560-19-2
Database identifiers
- CAS
86560-19-2- PubChem CID
- 3070534
- DTXSID
DTXSID001006924
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 437
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Compound notes
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