Basic information
- CAS
100208-31-9- Standard SMILES
CCCCCCOC(=O)CCCCCCCC1OC1CC1OC1CC1OC1CC- InChIKey
ODDDMQMTMZOLCZ-UHFFFAOYSA-N- Molecular formula
- C24H42O5
- Average molar mass
- 410.6 g/mol
- Monoisotopic mass
- 410.30322444
Names & identifiers
- Preferred name
- Hexyl 3-[[3-[(3-ethyloxiranyl)methyl]oxiranyl]methyl]oxiran-2-octanoate
- IUPAC
- hexyl 8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoate
- English name
- hexyl 3-[[3-[(3-ethyloxiranyl)methyl]oxiranyl]methyl]oxiran-2-octanoate
- Molecular formula
- C24H42O5
- Molecular weight
- 410.58728
Names & synonyms
100208-31-9Hexyl 3-[[3-[(3-ethyloxiranyl)methyl]oxiranyl]methyl]oxiran-2-octanoatehexyl 8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoateHexyl 3-((3-((3-ethyloxiranyl)methyl)oxiranyl)methyl)oxiran-2-octanoateHexyl 8-(3-((3-((3-ethyloxiran-2-yl)methyl)oxiran-2-yl)methyl)oxiran-2-yl)octanoateEINECS 309-231-4ODDDMQMTMZOLCZ-UHFFFAOYSA-NSCHEMBL23222921DTXSID80905261NS000657941,2:4,5:7,8-trianhydro-3,6,9,10-tetradeoxy-1-[8-(hexyloxy)-8-oxooctyl]decitol2-Oxiraneoctanoic acid, 3-[[3-[(3-ethyl-2-oxiranyl)methyl]-2-oxiranyl]methyl]-, hexyl ester
Show more names
3-[[3-[(3-Ethyloxiranyl)methyl]oxiranyl]methyl]oxirane-2-octanoic acid hexyl ester
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 19
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 482
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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