CCCCOC(=O)CCC
CAS: 109-21-7
Nom: butyl butanoate
SMILES: CCCCOC(=O)CCC

Molecular Processing

Molecular formula
C8H16O2
Molecular weight
144.21
Exact mass
144.115
XLogP
2.13
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
40.78

Supplementary Information

InChIKey: XUPYJHCZDLZNFP-UHFFFAOYSA-N
Synonymes
Butyl butyrate109-21-7Butyl butanoaten-Butyl butyrateButanoic acid, butyl ester1-Butyl butyraten-Butyl butanoateN-BUTYL N-BUTYRATEButyl butylateButyric acid, butyl esterButyl n-butyraten-Butyl n-butanoateFEMA No. 2186Butyric acid n-butyl ester1BHV00T1M4NSC-8458DTXSID7041702CHEBI:87429RefChem:122231DTXCID5021702203-656-8Butyric Acid Butyl EsterButylbutyratebutryl butyrateNSC 8458n-Butyric acid n-butyl esterMFCD00009450Butyl ester of butanoic acidbutanoic acid butyl esterButyl butyrate (natural)
Voir la source →
Impliqué dans 5 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→