3-Methyl-2-heptanol
PubChem CID: 35784
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| Compound Synonyms | 3-METHYL-2-HEPTANOL, 3-methylheptan-2-ol, 31367-46-1, 2-Heptanol, 3-methyl-, NSC 92762, DTXSID90871367, 3-methyl-heptan-2-ol, NSC92762, SCHEMBL1657122, 2-Heptanol, 3-methyl-(8CI), DTXCID40819037, LMFA05000479, NSC-92762, AKOS011020296, 2-Heptanol, 3-methyl-(8CI)(9CI), CS-0297346, NS00096366, EN300-1625726, 654-452-4 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 61.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylheptan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C8H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SZERMVMTUUAYML-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.918 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.716 |
| Compound Name | 3-Methyl-2-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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1159321999999996 |
| Inchi | InChI=1S/C8H18O/c1-4-5-6-7(2)8(3)9/h7-9H,4-6H2,1-3H3 |
| Smiles | CCCCC(C)C(C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients