Responsive image

Common name

2,2-dimethylbutan-1-ol

IUPAC name

2,2-dimethylbutan-1-ol

SMILES

C(C)(C)(CC)CO

Common name

2,2-dimethylbutan-1-ol

IUPAC name

2,2-dimethylbutan-1-ol

SMILES

C(C)(C)(CC)CO

INCHI

InChI=1S/C6H14O/c1-4-6(2,3)5-7/h7H,4-5H2,1-3H3

FORMULA

C6H14O

Responsive image

Common name

2,2-dimethylbutan-1-ol

IUPAC name

2,2-dimethylbutan-1-ol





Molecular weight

102.175

clogP

0.953

clogS

-1.249

Frequency

0.0003





HBond Acceptor

1

HBond Donor

1

Total Polar
Surface Area

20.23

Number of Rings

0

Rotatable Bond

2

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
1esz_ligand_3_28.mol2 1esz 1 -6.36 C(C)(CCO)C 6
1fbm_ligand_3_19.mol2 1fbm 1 -6.22 C(O)CC(C)C 6
4f7n_ligand_3_25.mol2 4f7n 1 -6.13 C(O)CCC 5
1esz_ligand_2_9.mol2 1esz 1 -6.05 C(C)CCO 5
3egt_ligand_4_315.mol2 3egt 1 -5.99 CCCCO 5
4h5e_ligand_3_19.mol2 4h5e 1 -5.99 OCCC(C)C 6
3dzt_ligand_3_235.mol2 3dzt 1 -5.98 CCCCO 5
269 , 27