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Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
1
Total Number of Articles : 1
|
| PubChem |
22873
|
| Molecular Formula |
C12H24O2 |
| SMILES |
CCCCCCOC(=O)CCCCC |
| InChI |
InChI=1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3 |
| synonyms |
- HEXYL HEXANOATE
- Hexyl caproate
- Hexanoic acid, hexyl ester
- n-Hexyl hexanoate
- Hexyl hexoate
- n-Hexyl n-hexanoate
- n-Hexyl caproate
- FEMA No. 2572
- Hexyl n-hexanoate
- Hexyl hexanoate (natural)
- hexyl capronate
- UNII-GI6FE1QMW6
- GI6FE1QMW6
- EINECS 228-952-4
- NSC 53799
- BRN 1762037
- DTXSID3047552
- AI3-06035
- NSC-53799
- HEXYL HEXANOATE [FCC]
- HEXYL HEXANOATE [FHFI]
- DTXCID1027552
- NCDCLPBOMHPFCV-UHFFFAOYSA-
- WE(6:0/6:0)
- CHEBI:156492
- 228-952-4
- 4-02-00-00922 (beilstein handbook reference)
- inchi=1/c12h24o2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11h2,1-2h3
- ncdclpbomhpfcv-uhfffaoysa-n
- 6378-65-0
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|
| Properties |
| Property |
Value |
| MW |
200.32 g/mol |
| HBD |
0 |
| HBA |
2 |
| Rotatable Bond Count |
10 |
| Exact Mass |
200.177630004 g/mol |
| Monoisotopic Mass |
200.177630004 g/mol |
| Heavy Atom Count |
14 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
132 |
| xlogp |
4.4 |
| Topological Polar Surface Area |
26.3 |
|