Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67452
- Core Entity Id
- 130101
- Source Entity Count
- 1
- Preferred Name
- 2-ETHYLHEXYL BUTYRATE
- Name En
- Pubchem Id
- 117230
- Smiles Canonical
- CCCCC(CC)COC(=O)CCC
- Molecular Formula
- C12H24O2
- Molecular Weight
- 200.1800
- Inchikey
- LFEQNZNCKDNGRM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H24O2/c1-4-7-9-11(6-3)10-14-12(13)8-5-2/h11H,4-10H2,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.1000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 9
- Drug Likeness
- Polar Surface Area
- 26.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-ETHYLHEXYL BUTYRATE
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2-ETHYLHEXYL BUTYRATE
Itcmdb Generated
ITX-INGREDIENT-D7ACF0FED0DD
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
200.180
Molecular Formula
C12H24O2
Fda Maximum Daily Dose (Fdamdd)
0.060
Quantitative Estimate Of Drug Likeness（Qed）
0.560