Summary

IMPPAT Phytochemical identifier: IMPHY016155

Phytochemical name: 1,1-Dicyclopropylethylene

Synonymous chemical names:
1,1-dicyclopropylethylene

External chemical identifiers:
CID:69977, ZINC:ZINC000001845658, SureChEMBL:SCHEMBL6267455, MolPort-006-147-968

---

Chemical structure information

SMILES:
C=C(C1CC1)C1CC1

InChI:
InChI=1S/C8H12/c1-6(7-2-3-7)8-4-5-8/h7-8H,1-5H2

InChIKey:
RXCSODBXHNSSCQ-UHFFFAOYSA-N

DeepSMILES:
C=CCCC3)))CCC3

Functional groups:
C=C(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C(C1CC1)C1CC1

Scaffold Graph/Node level:
CC(C1CC1)C1CC1

Scaffold Graph level:
CC(C1CC1)C1CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP-Likeness score: 1.292

---

Chemical structure download