Propane-1,1,1,3,3,3-d6
C₃H₈·50.130 g/mol·CID 137751
IUPAC: 1,1,1,3,3,3-hexadeuteriopropane
Also known as: 2875-96-9, DTXSID60182932, RefChem:374296, DTXCID00105423, 1,1,1,3,3,3-hexadeuteriopropane (+6 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
50.130g/mol
Exact Mass
50.100261Da
Monoisotopic Mass
50.100261Da
XLogP
1.8
Polar Surface Area
0.0Ų
Complexity
0
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
0
Rotatable Bonds
0
Heavy Atoms
3
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 50.1 g/mol
MW ≤ 500
✓ 1.8
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 0
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H220Extremely flammable gasH280Contains gas under pressure; may explode if heated
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₃H₈
propane
CID 6334 · 44.1 g/mol
1,1,1,2,2,3,3,3-octadeuteriopropane
CID 137750 · 52.1 g/mol
2,2-dideuteriopropane
CID 6914130 · 46.1 g/mol
1,1,1,2,3,3,3-heptadeuteriopropane
CID 10511085 · 51.1 g/mol
(113C)propane
CID 12314535 · 45.1 g/mol
(1,2,3-13C3)propane
CID 12314537 · 47.1 g/mol
(213C)propane
CID 6432174 · 45.1 g/mol
2-deuteriopropane
CID 12314534 · 45.1 g/mol