4-Methyl-5-nonanone

• Catalog Number: ACM35900266
• Product Name: 4-Methyl-5-nonanone
• CAS: 35900-26-6
• Category: Insect Pheromone
• Synonyms: 4-Methyl-5-nonanone;35900-26-6;4-methylnonan-5-one;5-Nonanone, 4-methyl-;MFCD00048807;ACMC-20amdn;4-methyl-nonan-5-one;SCHEMBL434439;DTXSID00885637;AMY19310;LMFA12000140;AKOS028110118;MCULE-7397658262;VZ29399;DB-048893;FT-0639290;(3R,4R)-(+)-1-Benzyl-3,4-pyrrolidindiol;J-640363;J-800367
• IUPAC Name: 4-methylnonan-5-one
• Molecular Weight: 156.26g/mol
• Molecular Formula: C10H20O
• Canonical SMILES: CCCCC(=O)C(C)CCC
• InChI: InChI=1S/C10H20O/c1-4-6-8-10(11)9(3)7-5-2/h9H,4-8H2,1-3H3
• InChI Key: CGHJMKONNFWXHO-UHFFFAOYSA-N
• Boiling Point: 199.3ºC at 760 mmHg
• Flash Point: 69.9ºC
• Density: 0.817 g/cm³
• Application: 4-Methyl-5-nonanone is a pheromone produced by male West Indian sugarcane borer (WISB).
• Complexity: 107
• Covalently-Bonded Unit Count: 1
• Exact Mass: 156.151415257g/mol
• Hazard Statements: Xi
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 1
• Monoisotopic Mass: 156.151415257g/mol
• Rotatable Bond Count: 6
• Safety Description: 26-36/37/39
• Topological Polar Surface Area: 17.1Ų
• XLogP3: 3.3

Custom Q&A

What is the molecular formula of 4-methyl-5-nonanone?

The molecular formula of 4-methyl-5-nonanone is C10H20O.

What is the molecular weight of 4-methyl-5-nonanone?

The molecular weight of 4-methyl-5-nonanone is 156.26 g/mol.

What is the IUPAC name of 4-methyl-5-nonanone?

The IUPAC name of 4-methyl-5-nonanone is 4-methylnonan-5-one.

What is the InChI of 4-methyl-5-nonanone?

The InChI of 4-methyl-5-nonanone is InChI=1S/C10H20O/c1-4-6-8-10(11)9(3)7-5-2/h9H,4-8H2,1-3H3.

What is the InChIKey of 4-methyl-5-nonanone?

The InChIKey of 4-methyl-5-nonanone is CGHJMKONNFWXHO-UHFFFAOYSA-N.

What is the canonical SMILES of 4-methyl-5-nonanone?

The canonical SMILES of 4-methyl-5-nonanone is CCCCC(=O)C(C)CCC.

What is the CAS number of 4-methyl-5-nonanone?

The CAS number of 4-methyl-5-nonanone is 35900-26-6.

What is the XLogP3-AA value of 4-methyl-5-nonanone?

The XLogP3-AA value of 4-methyl-5-nonanone is 3.3.

How many hydrogen bond donor counts does 4-methyl-5-nonanone have?

4-methyl-5-nonanone has 0 hydrogen bond donor counts.

How many rotatable bond counts does 4-methyl-5-nonanone have?

4-methyl-5-nonanone has 6 rotatable bond counts.