CCCCC.CCOC(=O)C
名称: ethyl acetate;pentane
SMILES: CCCCC.CCOC(=O)C

Molecular Processing

Molecular formula
C9H20O2
Molecular weight
160.26
Exact mass
160.1463
XLogP
2.77
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
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
2
Fraction Csp3
0.889
Molar refractivity
47.51

Supplementary Information

InChIKey: QVDYYQXUNAQSNI-UHFFFAOYSA-N
同義語
AcOEt pentanepentane EtOAcEtOAc Pentaneethyl acetate pentaneethyl acetate-pentanepentane ethyl acetate1ethyl acetate pentaneethyl acetate n-pentanen-pentane ethyl acetateSCHEMBL70679QVDYYQXUNAQSNI-UHFFFAOYSA-N
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