Propane-1,3-diyl bis[8-(3-octylthiiran-2-yl)octanoate]
Basic information
- CAS
54479-52-6- Standard SMILES
CCCCCCCCC1SC1CCCCCCCC(=O)OCCCOC(=O)CCCCCCCC1SC1CCCCCCCC- InChIKey
CIVGLEHMNZIULS-UHFFFAOYSA-N- Molecular formula
- C39H72O4S2
- Average molar mass
- 669.1 g/mol
- Monoisotopic mass
- 668.48720312
Names & identifiers
- Preferred name
- Propane-1,3-diyl bis[8-(3-octylthiiran-2-yl)octanoate]
- IUPAC
- 3-[8-(3-octylthiiran-2-yl)octanoyloxy]propyl 8-(3-octylthiiran-2-yl)octanoate
Names & synonyms
54479-52-6propane-1,3-diyl bis[8-(3-octylthiiran-2-yl)octanoate]NSC154816DTXSID20302876NSC-154816
Database identifiers
- CAS
54479-52-6- PubChem CID
- 290680
- DTXSID
DTXSID20302876
Properties
Computed structural properties
- XLogP
- 14.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 36
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 659
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Compound notes
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