2,7,10-Trimethyldodecane
PubChem CID: 93447
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| Compound Synonyms | 2,7,10-Trimethyldodecane, 74645-98-0, Dodecane, 2,7,10-trimethyl-, DTXSID5058642, CHEBI:84280, 2,7,10-Trimethyldodecane #, DTXCID9032329, JCJGCZBSINPZAJ-UHFFFAOYSA-N, LMFA11000686, NS00095960, Q27157644 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 126.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,7,10-trimethyldodecane |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 7.5 |
| Is Pains | False |
| Molecular Formula | C15H32 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JCJGCZBSINPZAJ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 9.0 |
| Compound Name | 2,7,10-Trimethyldodecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 212.25 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 212.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 212.41 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.269110199999999 |
| Inchi | InChI=1S/C15H32/c1-6-14(4)11-12-15(5)10-8-7-9-13(2)3/h13-15H,6-12H2,1-5H3 |
| Smiles | CCC(C)CCC(C)CCCCC(C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Michelia Alba (Plant) Rel Props:Source_db:cmaup_ingredients