Responsive image

Common name

(3R)-4,4-dimethylhex-1-en-3-ol

IUPAC name

(3R)-4,4-dimethylhex-1-en-3-ol

SMILES

C(C)(C)(CC)C(O)C=C

Common name

(3R)-4,4-dimethylhex-1-en-3-ol

IUPAC name

(3R)-4,4-dimethylhex-1-en-3-ol

SMILES

C(C)(C)(CC)C(O)C=C

INCHI

InChI=1S/C8H16O/c1-5-7(9)8(3,4)6-2/h5,7,9H,1,6H2,2-4H3/t7-/m1/s1

FORMULA

C8H16O

Responsive image

Common name

(3R)-4,4-dimethylhex-1-en-3-ol

IUPAC name

(3R)-4,4-dimethylhex-1-en-3-ol





Molecular weight

128.212

clogP

1.637

clogS

-1.375

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
FDBD01594 Gemeprost Responsive image Prostaglandins; Genito Urinary System and Sex Hormones; Uterotonics;
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1s19_ligand_2_5.mol2 1s19 0.933333 -6.35 C1(CC1)[C@@H](C=C)O 7
1k6v_ligand_4_426.mol2 1k6v 0.866667 -5.91 [C@H](O)(CCC=C)C 7
2ewp_ligand_3_85.mol2 2ewp 0.733333 -5.83 C(CO)CC=C 6
1k6v_ligand_3_186.mol2 1k6v 0.733333 -5.56 C(O)CCC=C 6
5a0e_ligand_3_687.mol2 5a0e 0.733333 -5.02 C(=C)C[C@H](CO)C 7
2fxu_ligand_1_16.mol2 2fxu 0.714286 -5.56 [C@H](O)(C)C(=C)C 6
2zmj_ligand_3_4.mol2 2zmj 0.666667 -5.93 C(C=C)[C@@H](O)C 6
4jkw_ligand_3_1.mol2 4jkw 0.666667 -5.56 C(O)CC(=C)C 6
2gj5_ligand_frag_0.mol2 2gj5 0.65 -5.45 C1CC(CCC1=C)O 8
147 , 15