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
- 67083
- Core Entity Id
- 129732
- Source Entity Count
- 1
- Preferred Name
- 2,6,8-Trimethyl-decane
- Name En
- Pubchem Id
- 545608
- Smiles Canonical
- CCC(C)CC(C)CCCC(C)C
- Molecular Formula
- C13H28
- Molecular Weight
- 184.2200
- Inchikey
- SWDJLVOSNCGQGB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H28/c1-6-12(4)10-13(5)9-7-8-11(2)3/h11-13H,6-10H2,1-5H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.4000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2,6,8-Trimethyl-decane
Itcmdb Generated
ITX-INGREDIENT-58BA92E683AC
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
184.220
Molecular Formula
C13H28
Fda Maximum Daily Dose (Fdamdd)
0.050
Quantitative Estimate Of Drug Likeness（Qed）
0.528