Summary

IMPPAT Phytochemical identifier: IMPHY016731

Phytochemical name: 2,5-Dimethyl-3,4-hexanediol

Synonymous chemical names:
meso-2,5-dimethyl-3,4-hexanediol

External chemical identifiers:
CID:552199, SureChEMBL:SCHEMBL106930

---

Chemical structure information

SMILES:
OC(C(C(C)C)O)C(C)C

InChI:
InChI=1S/C8H18O2/c1-5(2)7(9)8(10)6(3)4/h5-10H,1-4H3

InChIKey:
UEGKGPFVYRPVCC-UHFFFAOYSA-N

DeepSMILES:
OCCCC)C))O))CC)C

Functional groups:
CO

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.595

---

Chemical structure download