3-Eicosanone
Basic information
- CAS
2955-56-8- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)CC- InChIKey
BWVLRRQCABCGBO-UHFFFAOYSA-N- Molecular formula
- C20H40O
- Average molar mass
- 296.5 g/mol
- Monoisotopic mass
- 296.3079159
Names & identifiers
- Preferred name
- 3-Eicosanone
- IUPAC
- icosan-3-one
- English name
- 3-Eicosanone
- Molecular formula
- C20H40O
- Molecular weight
- 0
Names & synonyms
3-EICOSANONEDTXSID10183732NSC 406005RefChem:93739DTXCID50106223BWVLRRQCABCGBO-UHFFFAOYSA-Nicosan-3-one2955-56-83-IcosanoneEthyl Heptadecyl Ketone; NSC 406005eicosanone-33-Icosanone #
Show more names
NSC406005EICOSAN-3-ONESCHEMBL3122593SCHEMBL17078442SCHEMBL17078443MFCD00026673AKOS024334046NSC-406005
Database identifiers
- CAS
2955-56-8- PubChem CID
- 18067
- DTXSID
DTXSID10183732- Nikkaji
- J108.285J
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 17
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 39 °C · 39°C (estimate)
- Boiling point
- 363.11 °C · 363.11°C (estimate)
- Density
- 0.8559 · 0.8559 (rough estimate)
- refractive index
- 1.4536 · 1.4536 (estimate)
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Hexanes (Slightly)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
Uses3-Eicosanone can be used to chemically characterize and evaluate the bioactivity of bacteriocin from marine biofilm-forming bacteria.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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