Responsive image

Common name

(2R)-2-methylhex-4-yn-1-ol

IUPAC name

(2R)-2-methylhex-4-yn-1-ol

SMILES

C(C(C)CO)C#CC

Common name

(2R)-2-methylhex-4-yn-1-ol

IUPAC name

(2R)-2-methylhex-4-yn-1-ol

SMILES

C(C(C)CO)C#CC

INCHI

InChI=1S/C7H12O/c1-3-4-5-7(2)6-8/h7-8H,5-6H2,1-2H3/t7-/m1/s1

FORMULA

C7H12O

Responsive image

Common name

(2R)-2-methylhex-4-yn-1-ol

IUPAC name

(2R)-2-methylhex-4-yn-1-ol





Molecular weight

112.170

clogP

1.212

clogS

-0.960

Frequency

0.0003





HBond Acceptor

1

HBond Donor

1

Total Polar
Surface Area

20.23

Number of Rings

0

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00938 Iloprost Responsive image Platelet Aggregation Inhibitors; Vasodilator Agents; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Used for the treatment of pulmonary arterial hypertension.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1hy7_ligand_3_21.mol2 1hy7 0.695652 -5.58 C(C#CC)CC(=O)O 8
4oc2_ligand_2_44.mol2 4oc2 0.545455 -5.91 C(C(=O)O)CC#C 7
303 , 31