CC(=CCCC(=O)C)C
CAS: 110-93-0
Name: 6-methylhept-5-en-2-one
SMILES: CC(=CCCC(=O)C)C

Molecular Processing

Molecular formula
C8H14O
Molecular weight
126.2
Exact mass
126.1045
XLogP
2.32
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
9
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
0.625
Molar refractivity
39.35

Supplementary Information

InChIKey: UHEPJGULSIKKTP-UHFFFAOYSA-N
Synonyme
6-METHYL-5-HEPTEN-2-ONE6-Methylhept-5-en-2-one110-93-0SulcatoneMETHYL HEPTENONE5-HEPTEN-2-ONE, 6-METHYL-2-Oxo-6-methylhept-5-eneFEMA No. 2707DTXSID5021629NSC-15294DTXCID501629CHEBI:16310RefChem:818618DTXSID9027152203-816-7Methylheptenone2-Methyl-2-hepten-6-one6-Methyl-5-heptene-2-oneprenylacetone6-Methyl-hepten-2-one2-Methyl-6-oxo-2-hepteneNSC 152946-methyl-hept-5-en-2-oneMFCD000089056-Methyl hept-5-en-2-one6-methylheptan-5-ene-2-oneNSC665692-METHYL-2-HEPTENE-6-KETONE448353S93VCAS-110-93-0
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