2-Ethyl-4-methylpentanol
PubChem CID: 7821
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| Compound Synonyms | 2-Ethyl-4-methylpentan-1-ol, 106-67-2, 2-Ethyl-4-methylpentanol, 2-Ethyl-4-methyl-1-pentanol, 1-Pentanol, 2-ethyl-4-methyl-, 2-Ethylisohexanol, BRN 1697441, 111767-90-9, EINECS 203-422-5, 80V2E9GXUZ, UNII-80V2E9GXUZ, QCHSJPKDWOFACC-UHFFFAOYSA-, DTXSID90861723, 4-01-00-01792 (Beilstein Handbook Reference), MFCD01709207, SCHEMBL135878, QSPL 107, CHEBI:89186, DTXCID80810609, AAA10667, 4-METHYL-2-ETHYL-1-PENTANOL, AKOS014320379, AS-76101, DB-314013, CS-0152610, NS00041378, A10715, EN300-7276493, Q27161372 |
|---|---|
| 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;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethyl-4-methylpentan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C8H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QCHSJPKDWOFACC-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.037 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.921 |
| Compound Name | 2-Ethyl-4-methylpentanol |
| 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 | -1.8828322 |
| Inchi | InChI=1S/C8H18O/c1-4-8(6-9)5-7(2)3/h7-9H,4-6H2,1-3H3 |
| Smiles | CCC(CC(C)C)CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients