Summary

IMPPAT Phytochemical identifier: IMPHY017162

Phytochemical name: Benzene, (1-ethyldecyl)-

Synonymous chemical names:
3-phenyldodecane

External chemical identifiers:
CID:16979, SureChEMBL:SCHEMBL3097530, MolPort-006-114-279

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Chemical structure information

SMILES:
CCCCCCCCCC(c1ccccc1)CC

InChI:
InChI=1S/C18H30/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3

InChIKey:
PGVOXXHNGYYHHB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCcccccc6))))))CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Phenylpropanes

NP-Likeness score: 0.444

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Chemical structure download