4-Methylpentanal

Catalog Number	ACM1119160-1
CAS	1119-16-0
Structure
IUPAC Name	4-methylpentanal
Synonyms	4-methylpentanal;4-Methylvaleraldehyde;1119-16-0;isocaproaldehyde;Pentanal, 4-methyl-;isohexanal;4-Methyl valeraldehyde;Valeraldehyde, 4-methyl-;UNII-T0AO9E93RH;4-METHYLPENTALDEHYDE;T0AO9E93RH;EINECS 214-273-0;BRN 0506059;isohexana;AI3-30050;4-methyl-pentanal;4-methyl-Valeraldehyde;Alkanal(C4-19);CC(C)C[CH]C=O;3-01-00-02836 (Beilstein Handbook Reference);SCHEMBL107778;DTXSID8061509;CHEBI:17998;ALBB-032087;isocaproaldehyde: 4-methyl-Pentanal;ZINC1529424;MFCD00871507;AKOS011896097;EBD3321281;NE33128;BS-12750;FT-0672033;Y1162;C02373;Q17517938
Molecular Weight	100.16g/mol
Molecular Formula	C6H12O
Canonical SMILES	CC(C)CCC=O
InChI	InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3
InChI Key	JGEGJYXHCFUMJF-UHFFFAOYSA-N
Complexity	48.1
Covalently-Bonded Unit Count	1
EC Number	214-273-0
Exact Mass	100.088815002g/mol
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Monoisotopic Mass	100.088815002g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1Å²
UNII	T0AO9E93RH
X Log P3	1.3

Please kindly note that our products and services are for research use only.