Summary

IMPPAT Phytochemical identifier: IMPHY016375

Phytochemical name: 3-Methylheptane

Synonymous chemical names:
3-methyl heptane

External chemical identifiers:
CID:11519, ChEBI:89985, FDASRS:Z4R1WI6C0R, SureChEMBL:SCHEMBL55575, MolPort-001-770-800

---

Chemical structure information

SMILES:
CCCCC(CC)C

InChI:
InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3

InChIKey:
LAIUFBWHERIJIH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC))C

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Alkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.017

---

Chemical structure download