CC(C)(C)CCCCC(=O)O
CAS: 59354-78-8
Nom: 6,6-dimethylheptanoic acid
SMILES: CC(C)(C)CCCCC(=O)O

Molecular Processing

Molecular formula
C9H18O2
Molecular weight
158.24
Exact mass
158.1307
XLogP
2.68
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
11
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
0.889
Molar refractivity
45.56

Supplementary Information

InChIKey: AAOISIQFPPAFQO-UHFFFAOYSA-N
Synonymes
Neononanoic acid59354-78-8L998HB9ZEPNEOPELARGONIC ACIDEINECS 261-716-9DTXSID50208099NEO 900EC 261-716-9RefChem:832314DTXCID20130590261-716-96,6-dimethylheptanoic acid15898-92-77:0(6Me,6Me)6,6-dimethyl-hexanoic acid6,6 Dimethyl-Heptanoic acid6,6-dimethylheptanoicacid6-dimethyl-heptanoic acidUNII-L998HB9ZEPSCHEMBL1908887SCHEMBL8812002CHEBI:179894QAA89892LMFA01020345AKOS013464774CS-0239262NS00004316EN300-208555G52179Z1198156575
Voir la source →
Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→