The Biofilms Structural Database
Name
(4R)-2-Methylpentane-2,4-DIOL
Molecular Weight
118.17
Isomeric SMILES
C[C@@H](O)CC(C)(C)O
Formula
C6H14O2
Identifiers
(4R)-2-methylpentane-2,4-diol
Formal Charge
0
InChI
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m1/s1
Atom Count
22
InChIKey
SVTBMSDMJJWYQN-RXMQYKEDSA-N
PDB codes
4JVC
Type
Non-polymer
Chiral Atom Count
1
Chiral Atoms
C4
Bond Count
21
Aromatic Bond Count
Leaving Atoms
n/a