3-Ethyl-4-methylpentan-1-ol
PubChem CID: 549664
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| Compound Synonyms | 3-ethyl-4-methylpentan-1-ol, 3-Ethyl-4-methyl-1-pentanol, 1-Pentanol, 3-ethyl-4-methyl-, 3-Isopropyl-1-pentanol, 38514-13-5, 3-ethyl-4-methylpentanol, SCHEMBL4400624, MFCD30247932, SY310603, G66221 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 59.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethyl-4-methylpentan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C8H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RWIFVESHBHTZEM-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.941 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.48 |
| Compound Name | 3-Ethyl-4-methylpentan-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 130.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 130.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 130.229 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0025322 |
| Inchi | InChI=1S/C8H18O/c1-4-8(5-6-9)7(2)3/h7-9H,4-6H2,1-3H3 |
| Smiles | CCC(CCO)C(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dolomiaea Souliei (Plant) Rel Props:Source_db:cmaup_ingredients