CCCCCC.CC(=O)C
Name: hexane;propan-2-one
SMILES: CCCCCC.CC(=O)C

Molecular Processing

Molecular formula
C9H20O
Molecular weight
144.26
Exact mass
144.1514
XLogP
3.18
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
2
Fraction Csp3
0.889
Molar refractivity
46.17

Supplementary Information

InChIKey: KDCIHNCMPUBDKT-UHFFFAOYSA-N
Synonyme
acetone hexaneacetone-hexaneacetone.hexanehexane acetonehexane-acetoneacetone n-hexanen-hexane-acetonen-hexane AcetoneSCHEMBL114496KDCIHNCMPUBDKT-UHFFFAOYSA-N
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