Hexyl 3-((3-pentyloxiranyl)methyl)oxiran-2-octanoate
Basic information
- CAS
19434-79-8- Standard SMILES
CCCCCCOC(=O)CCCCCCCC1OC1CC1OC1CCCCC- InChIKey
DIRXYQPNUXCLAX-UHFFFAOYSA-N- Molecular formula
- C24H44O4
- Average molar mass
- 396.6 g/mol
- Monoisotopic mass
- 396.32395988
Names & identifiers
- Preferred name
- Hexyl 3-((3-pentyloxiranyl)methyl)oxiran-2-octanoate
- IUPAC
- hexyl 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate
- English name
- hexyl 3-[(3-pentyloxiranyl)methyl]oxiran-2-octanoate
- Molecular formula
- C24H44O4
- Molecular weight
- 396.60376
Names & synonyms
19434-79-8Hexyl 3-((3-pentyloxiranyl)methyl)oxiran-2-octanoateHexyl 3-[(3-pentyloxiranyl)methyl]oxiran-2-octanoateDIRXYQPNUXCLAX-UHFFFAOYSA-NEINECS 243-063-1hexyl 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoateSCHEMBL26319040DTXSID40941165NS000490301,2:4,5-dianhydro-3-deoxy-1-[8-(hexyloxy)-8-oxooctyl]-5-pentylpentitol3-(3-Pentyloxiran-2-ylmethyl)oxirane-2-octanoic acid hexyl ester
Database identifiers
- CAS
19434-79-8- PubChem CID
- 86875
- DTXSID
DTXSID40941165- EC Number
- 243-063-1
- Nikkaji
- J242.816D
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 51.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 411
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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