CAS 100508-44-9 | Butanoic acid, 3-methyl-, 6,10,13-trimethyltetradecyl ester | CAS Number 100508-44-9

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100508-44-9 | Butanoic acid, 3-methyl-, 6,10,13-trimethyltetradecyl ester

CAS No: 100508-44-9 Catalog No: AG00026X MDL No:

Product Description

Catalog Number:

AG00026X

Chemical Name:

Butanoic acid, 3-methyl-, 6,10,13-trimethyltetradecyl ester

CAS Number:

100508-44-9

Molecular Formula:

C22H44O2

Molecular Weight:

340.5836

IUPAC Name:

6,10,13-trimethyltetradecyl 3-methylbutanoate

InChI:

InChI=1S/C22H44O2/c1-18(2)14-15-21(6)13-10-12-20(5)11-8-7-9-16-24-22(23)17-19(3)4/h18-21H,7-17H2,1-6H3

InChI Key:

APHRWGIGLRUJLA-UHFFFAOYSA-N

SMILES:

CC(CCCC(CCC(C)C)C)CCCCCOC(=O)CC(C)C

Properties

Complexity:

296

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

340.334g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

340.592g/mol

Monoisotopic Mass:

340.334g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

8.8

Literature

Title	Journal
Effect of rearing conditions on production of sternal gland secretion, and identification of minor components in the sternal gland secretion of the predatory stink bug Eocanthecona furcellata.	Journal of chemical ecology 20050101
Semiochemicals from the predatory stink bug Eocanthecona furcellata (Wolff): components of metathoracic gland, dorsal abdominal gland, and sternal gland secretions.	Journal of chemical ecology 20030901