(2E)-2-Hexadecenoic acid - CAS 929-79-3
Catalog: |
BB064378 |
Product Name: |
(2E)-2-Hexadecenoic acid |
CAS: |
929-79-3 |
Synonyms: |
(E)-2-Hexadecenoic acid; trans-2-Hexadecenoic acid; 2t- Hexadecenoic acid |
IUPAC Name: | (E)-hexadec-2-enoic acid |
Description: | (2E)-2-Hexadecenoic acid is a trans-fatty acid which is used in the stereoselective preparation of azirine carboxylic esters via chiral thiourea-catalystic asymmetric Neber reaction of sulfonyloxyimines. It is also a component found in Axinelloside A, a lipopolysaccharide isolated from the Japanese marine sponge Axinella infundibula and a strong human telomerase inhibitor. |
Molecular Weight: | 254.41 |
Molecular Formula: | C16H30O2 |
Canonical SMILES: | CCCCCCCCCCCCCC=CC(=O)O |
InChI: | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)/b15-14+ |
InChI Key: | ZVRMGCSSSYZGSM-CCEZHUSRSA-N |
Appearance: | Solid |
References: | Sakamoto, S., et al. Org. Lett., 13, 6374 (2011); Warabi, K., et al. J. Am. Chem. Soc., 127, 13262 (2005). |
GHS Hazard Statement: | H318 (97.44%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P273, P280, P305+P354+P338, P317, and P501 |
Signal Word: | Danger |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 254.224580195 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.224580195 |
Rotatable Bond Count: | 13 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7 |
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