(E,Z)-2,13-Octadecadienal

• CAS: 99577-57-8
• Catalog Number: ACM99577578
• Category: Insect Pheromone
• Molecular Weight: 264.4g/mol
• Molecular Formula: C18H32O
• Synonyms: (2E,13Z)-octadeca-2,13-dienal;(E,Z)-2,13-OCTADECADIENAL;2E,13Z-Octadecadienal;99577-57-8;Koiganal II;SCHEMBL1302654;CHEBI:167965;LMFA06000234;ZINC21982904;AKOS015959073
• IUPAC Name: (2E,13Z)-octadeca-2,13-dienal
• Canonical SMILES: CCCCC=CCCCCCCCCCC=CC=O
• InChI: InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,16-18H,2-4,7-15H2,1H3/b6-5-,17-16+
• InChI Key: NCFULMZVHNTQOK-RAPDCGKPSA-N
• Complexity: 228
• Covalently-Bonded Unit Count: 1
• EC Number: 619-445-2
• Exact Mass: 264.245315640g/mol
• Heavy Atom Count: 19
• Hydrogen Bond Acceptor Count: 1
• Monoisotopic Mass: 264.245315640g/mol
• Rotatable Bond Count: 14
• Topological Polar Surface Area: 17.1Ų
• XLogP3: 7.1

Custom Q&A

What is the molecular formula of (E,Z)-2,13-octadecadienal?

The molecular formula of (E,Z)-2,13-octadecadienal is C18H32O.

What is the molecular weight of (E,Z)-2,13-octadecadienal?

The molecular weight of (E,Z)-2,13-octadecadienal is 264.4 g/mol.

What is the IUPAC name of (E,Z)-2,13-octadecadienal?

The IUPAC name of (E,Z)-2,13-octadecadienal is (2E,13Z)-octadeca-2,13-dienal.

What is the InChI of (E,Z)-2,13-octadecadienal?

The InChI of (E,Z)-2,13-octadecadienal is InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,16-18H,2-4,7-15H2,1H3/b6-5-,17-16+.

What is the InChIKey of (E,Z)-2,13-octadecadienal?

The InChIKey of (E,Z)-2,13-octadecadienal is NCFULMZVHNTQOK-RAPDCGKPSA-N.

How many hydrogen bond donor counts does (E,Z)-2,13-octadecadienal have?

(E,Z)-2,13-octadecadienal has 0 hydrogen bond donor count.

What is the XLogP3-AA value of (E,Z)-2,13-octadecadienal?

The XLogP3-AA value of (E,Z)-2,13-octadecadienal is 7.1.

How many rotatable bond counts does (E,Z)-2,13-octadecadienal have?

(E,Z)-2,13-octadecadienal has 14 rotatable bond counts.

What is the topological polar surface area of (E,Z)-2,13-octadecadienal?

The topological polar surface area of (E,Z)-2,13-octadecadienal is 17.1 Ų.

Is the compound (E,Z)-2,13-octadecadienal canonicalized?

Yes, the compound (E,Z)-2,13-octadecadienal is canonicalized.