The Biofilms Structural Database

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MRD

4JVC

Code

MRD

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

0

Leaving Atoms

n/a