IngredientID 1285
Back to Browse2,6-dimethylocta-2,6-diene
C10H18
Relationship Network
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Formula: 12Herb: 5Ingredient: 1Links: 17
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At a Glance
Curated fields selected for quick interpretation of this Ingredient record.
- Molecular Formula
- C10H18
- Molecular Weight
- 138.2540
- PubChem CID
- 137614
- CAS
- 2792-39-4
- InChIKey
- MZPDTOMKQCMETI-UHFFFAOYSA-N
Chemical Identity
Canonical identifiers and formula-level properties.
- Molecular Formula
- C10H18
- Molecular Weight
- 138.2540
- PubChem CID
- 137614
- CAS
- 2792-39-4
- InChIKey
- MZPDTOMKQCMETI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7H,6,8H2,1-4H3
Structure Strings
Validated structure encodings used for molecule rendering and search.
- Canonical SMILES
- CC=C(C)CCC=C(C)C
- Isomeric SMILES
- C/C=C(/C)CCC=C(C)C
Computed Molecular Properties
RDKit-derived or curated molecular descriptors suitable for comparison.
- MolLogP
- 3.6990
- Polar Surface Area
- 0.0000
- H-bond Donors
- 0
- H-bond Acceptors
- 0
- Rotatable Bonds
- 3
- Drug-likeness
- 0.5220
- Oral Bioavailability Score
- 21.0999
Cross References
Trusted external identifiers associated with this record.
Cas
2492-22-02792-39-4
Herb
HBIN004935HBIN020748
Npass
NPC126173
Tcmsp
MOL003984MOL005826
Sym Map
SMIT05977SMIT07530
Tcm Id
5627
Pub Chem
13761453524785365898
Tcmbank
TCMBANKIN059400
Etcm Ingredient
2,6-dimethylocta-2,6-diene
Itcmdb Generated
ITX-INGREDIENT-039415293372