2-[[1-(Oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxymethyl]oxirane
Basic information
- CAS
68665-19-0- Standard SMILES
C1=CCC(COCC2CO2)(COCC2CO2)CC1- InChIKey
SQFNYDYSTSWHCG-UHFFFAOYSA-N- Molecular formula
- C14H22O4
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.15180918
Names & identifiers
- Preferred name
- 2-[[1-(Oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxymethyl]oxirane
- IUPAC
- 2-[[1-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxymethyl]oxirane
Names & synonyms
68665-19-0UP 650(C14-H22-O4)x-SCHEMBL16237406DTXSID409883532,2'-[Cyclohex-3-ene-1,1-diylbis(methyleneoxymethylene)]bis(oxirane)
Database identifiers
- CAS
68665-19-0- PubChem CID
- 155111
- DTXSID
DTXSID40988353- Nikkaji
- J2.389.975B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
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Compound notes
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