Decane
PubChem CID: 15600
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| Compound Synonyms | DECANE, 124-18-5, n-Decane, Nonane, methyl-, Decyl hydride, HSDB 63, CCRIS 653, NSC 8781, EINECS 204-686-4, UN2247, BRN 1696981, NK85062OIY, DTXSID6024913, CHEBI:41808, AI3-24107, DECANE [HSDB], NSC-8781, MFCD00008954, SYNTSOL LP 10, DTXCID704913, EC 204-686-4, 4-01-00-00464 (Beilstein Handbook Reference), CACTUS NORMAL PARAFFIN N 10, Decane, analytical standard, CH3-(CH2)8-CH3, CH3-[CH2]8-CH3, CAS-124-18-5, D10, decan, Decane, Cactus Normal Paraffin N 10, NSC 8781, n-Decane, UNII-NK85062OIY, normal-decane, Dekan, n-Dekan, Decane, n-, Alkane C10, Decane, 99%, DECANE [INCI], Decane, >=95%, DECANE (N), Decane, anhydrous, >=99%, UNII: NK85062OIY, CHEMBL134537, QSPL 111, WLN: 10H, n-C10H22, NSC8781, Decane, ReagentPlus(R), >=99%, HY-Y0736, Tox21_201881, Tox21_300336, LMFA11000568, STL280316, Decane, purum, >=95.0% (GC), Decane, purum, >=98.0% (GC), AKOS005145676, n-Decane 1000 microg/mL in Methanol, UN 2247, s11595, Decane, SAJ special grade, >=99.0%, NCGC00247996-01, NCGC00247996-02, NCGC00254283-01, NCGC00259430-01, 63335-87-5, FD168487, LS-13903, n-Decane [UN2247] [Flammable liquid], DB-089700, DB-307803, D0011, NS00010712, S0282, S0554, EN300-19466, Q150717, F1908-0171, DBF497D1-4529-4457-841E-9D33CDF22B1C, 116372-01-1, 204-686-4, 682-389-2 |
|---|---|
| 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 | CCCCCCCCCC |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Saturated hydrocarbons |
| Description | Decane is an alkane hydrocarbon with the chemical formula CH3(CH2)8CH3. 75 isomers of decane exist, all of which are flammable liquids. N-Decane is found in safflower, sweet bay, and common oregano. |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 40.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q16236 |
| Iupac Name | decane |
| Prediction Hob | 1.0 |
| Class | Saturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 5.0 |
| Superclass | Hydrocarbons |
| Subclass | Alkanes |
| Gsk 4 400 Rule | False |
| Molecular Formula | C10H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DIOQZVSQGTUSAI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -5.72 |
| Rotatable Bond Count | 7.0 |
| State | liquid |
| Logd | 4.411 |
| Synonyms | Decane, CH3-[CH2]8-CH3, Dekan, N-Dekan, N-Decane, decane, decane, n, n-decane |
| Esol Class | Soluble |
| Compound Name | Decane |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 142.28 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.4164731999999995 |
| Inchi | InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3 |
| Smiles | CCCCCCCCCC |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Alkanes |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Acorus Calamus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1136 - 2. Outgoing r'ship
FOUND_INto/from Adansonia Digitata (Plant) Rel Props:Reference:https://doi.org/10.1016/j.lwt.2018.03.014 - 3. Outgoing r'ship
FOUND_INto/from Albizia Lebbeck (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643875 - 4. Outgoing r'ship
FOUND_INto/from Aloysia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895153 - 5. Outgoing r'ship
FOUND_INto/from Alstonia Scholaris (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699714 - 6. Outgoing r'ship
FOUND_INto/from Amomum Villosum (Plant) Rel Props:Source_db:npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Anaphalis Margaritacea (Plant) Rel Props:Reference:https://doi.org/10.20959/wjpr201714-9923 - 8. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Annona Muricata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698410 - 12. Outgoing r'ship
FOUND_INto/from Annona Squamosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698278 - 13. Outgoing r'ship
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FOUND_INto/from Bistorta Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Brassica Rapa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1335 - 21. Outgoing r'ship
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FOUND_INto/from Citrus Limon (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<235::aid-ffj733>3.0.co;2-t - 28. Outgoing r'ship
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FOUND_INto/from Cnidium Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 32. Outgoing r'ship
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FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090609 - 53. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 54. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 55. Outgoing r'ship
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