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

Molecular Processing

Molecular formula
C9H22O
Molecular weight
146.27
Exact mass
146.1671
XLogP
2.97
TPSA
20.23
H-bond donors
1
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
1
Molar refractivity
47.17

Supplementary Information

InChIKey: QKGYJVXSKCDGOK-UHFFFAOYSA-N
Synonyme
hexane iPrOHhexane isopropanolIPA hexaneisopropanol hexanehexan 2-propanolhexane i-propanolhexane i-PrOHi-PrOH hexaneHexane IPA2-propanol hexanehexane 2-propanoln-Hexane i-PrOHisopropanol n-hexaneHexane propan-2-oln-Hexane Isopropanolhexane isopropyl alcoholisopropyl alcohol hexaneSCHEMBL42593normal hexane isopropylalcoholQKGYJVXSKCDGOK-UHFFFAOYSA-N
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