4-Methyl-1-heptanol
PubChem CID: 109451
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| Compound Synonyms | 4-Methyl-1-heptanol, 817-91-4, 4-methylheptan-1-ol, 1-Heptanol, 4-methyl-, UNII-5W3F8V410R, 5W3F8V410R, (+/-)-4-METHYL-1-HEPTANOL, 4-METHYL-1-HEPTANOL, (+/-)-, MFCD00060841, 4-Methyl-heptan-1-ol, SCHEMBL497222, DTXSID001002134, AAA81791, EINECS 271-227-2, AKOS011898069, AS-57458, A12859, EN300-312828, A1-03542, Q27262947, 831-709-0 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 52.5 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methylheptan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C8H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LLUQZGDMUIMPTC-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.281 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.692 |
| Compound Name | 4-Methyl-1-heptanol |
| 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 | -1.9995322 |
| Inchi | InChI=1S/C8H18O/c1-3-5-8(2)6-4-7-9/h8-9H,3-7H2,1-2H3 |
| Smiles | CCCC(C)CCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients