1-Bromopentadecane
PubChem CID: 12394
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| Compound Synonyms | 1-BROMOPENTADECANE, 629-72-1, Pentadecyl bromide, Pentadecane, 1-bromo-, n-Pentadecyl bromide, DTXSID8049339, EINECS 211-104-2, NSC 133440, DTXCID2029296, 1219805-83-0, 1-BroMopentadecane--d3, NSC 133440, Pentadecyl Bromide, n-Pentadecyl Bromide, 1-bromo pentadecane, 1-bromo-pentadecane, MFCD00000229, NSC133440, 1-Bromopentadecane, 97%, SCHEMBL422449, CHEMBL3183401, AAA62972, Tox21_202861, AKOS009031600, NSC-133440, NCGC00260407-01, AS-57072, CAS-629-72-1, DB-054355, B0936, NS00010785, EN300-19410, D88716, Q63409077, 211-104-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCBr |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Organobromides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 112.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-bromopentadecane |
| Veber Rule | False |
| Classyfire Superclass | Organohalogen compounds |
| Xlogp | 8.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H31Br |
| Inchi Key | JKOTZBXSNOGCIF-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | pentadecyl bromide |
| Esol Class | Poorly soluble |
| Functional Groups | CBr |
| Compound Name | 1-Bromopentadecane |
| Exact Mass | 290.161 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.161 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 291.31 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCBr |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Origanum Majorana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1264276