1,1,1,2,2,3,3-heptadeuteriohexane
C₆H₁₄·93.220 g/mol·CID 524601
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
93.220g/mol
Exact Mass
93.153488Da
Monoisotopic Mass
93.153488Da
XLogP
3.9
Polar Surface Area
0.0Ų
Complexity
12
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
0
Rotatable Bonds
3
Heavy Atoms
6
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 93.2 g/mol
MW ≤ 500
✓ 3.9
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 0
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Isomers8 compounds with formula C₆H₁₄
hexane
CID 8058 · 86.2 g/mol
2-methylpentane
CID 7892 · 86.2 g/mol
3-methylpentane
CID 7282 · 86.2 g/mol
2,2-dimethylbutane
CID 6403 · 86.2 g/mol
2,3-dimethylbutane
CID 6589 · 86.2 g/mol
1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane
CID 140854 · 100.3 g/mol
(113C)hexane
CID 16213336 · 87.2 g/mol
1,1,1,2,2,3,3,4,5,5,5-undecadeuterio-4-(trideuteriomethyl)pentane
CID 16213381 · 100.3 g/mol