12-Methyltridecanol - CAS 21987-21-3
Catalog: |
BB059294 |
Product Name: |
12-Methyltridecanol |
CAS: |
21987-21-3 |
Synonyms: |
12-Methyl-1-tridecanol |
IUPAC Name: | 12-methyltridecan-1-ol |
Description: | 12-Methyltridecanol is an intermediate in the synthesis of the marine fatty acid (±)-2-Methoxy-13-methyltetradecanoic acid. (±)-2-Methoxy-13-methyltetradecanoic acid is a cytotoxic fatty acid to leukemia cells. |
Molecular Weight: | 214.39 |
Molecular Formula: | C14H30O |
Canonical SMILES: | CC(C)CCCCCCCCCCCO |
InChI: | InChI=1S/C14H30O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h14-15H,3-13H2,1-2H3 |
InChI Key: | ZXUOFCUEFQCKKH-UHFFFAOYSA-N |
References: | Fautz, E., et al. J. Bacteriol., 140, 852 (1979), Yang, Z., et al. Cancer Res., 60, 505 (2000), Carballeira, N., et al. Prog. Lipid Res., 41, 437 (2002),. |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.229665576 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.229665576 |
Rotatable Bond Count: | 11 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.9 |
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