CCC(=CCCC(=O)C)C
CAS: 24199-46-0
Name: 6-methyloct-5-en-2-one
SMILES: CCC(=CCCC(=O)C)C

Molecular Processing

Molecular formula
C9H16O
Molecular weight
140.23
Exact mass
140.1201
XLogP
2.71
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
43.96

Supplementary Information

InChIKey: SAXWRVSDVXCTEL-UHFFFAOYSA-N
Synonyme
5-Octen-2-one, 6-methyl-6-Methyloct-5-en-2-one24199-46-0Ethylheptenone75JXR26RR9ETHYL HEPTENONEEINECS 246-073-4AI3-35815EC 246-073-4DTXSID4066967RefChem:537488DTXCID5037024246-073-46-methyl-5-octen-2-on6-methyl-oct-5-en-2-oneUNII-75JXR26RR9SCHEMBL3019155NS00005392
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