Summary

IMPPAT Phytochemical identifier: IMPHY016609

Phytochemical name: Decylbenzene

Synonymous chemical names:
decylbenzene

External chemical identifiers:
CID:7716, ZINC:ZINC000095713049, FDASRS:KIR29W0BP0, SureChEMBL:SCHEMBL135378, MolPort-000-158-206

---

Chemical structure information

SMILES:
CCCCCCCCCCc1ccccc1

InChI:
InChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3

InChIKey:
UZILCZKGXMQEQR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCcccccc6

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Catechols with side chains

NP-Likeness score: 0.088

---

Chemical structure download