Text Search
Structure Search

(²H??)octadecanoic acid

(²H??)octadecanoic acid

CAS: 17660-51-4

Formula: C18H36O2

SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(O)=O

IUPAC: (²H??)octadecanoic acid

InChI: InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2

Composition: C (67.63%), H (0.32%), [2H] (22.05%), O (10.01%)

Molar Mass: 319.698

Atom Count: 56

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 319.491216506
Formal Charge 0
FSP3 0.94
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey QIQXTHQIDYTFRH-KNAXIHRDSA-N
Lipinski's Rule of Five
Molar Refractivity 86.29
Topological Polar Surface Area 37.3
Polarizability 34.4
Ring Count 0
Rotatable Bond Count 16

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 17660-51-4 $463.68$463.68
Request Quote
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
99% <6 Days 17660-51-4 $48.30-$187.45$48.30$90.85$187.45
Request Quote