Name: 2-ethylhex-2-enal
SMILES:
CCCC=C(CC)C=OMolecular 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
4
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: PYLMCYQHBRSDND-UHFFFAOYSA-N
Synonyms
2-Ethylhex-2-enalRefChem:4719302-ethyl-2-hex-enalSCHEMBL366897SCHEMBL4144617CHEMBL3181995AKOS030253178SB85342DB-054689E0123NS00077503Q24735451
Involved in 18 reactions→