(Z)-2-Methyloct-3-en-2-ol
PubChem CID: 5366246
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| Compound Synonyms | (Z)-2-Methyloct-3-en-2-ol, 18521-07-8, 3-Octen-2-ol, 2-methyl-, (Z)-, (Z)-2-methyl-3-octen-2-ol, (3Z)-2-Methyl-3-octen-2-ol, EINECS 242-395-4, DTXSID70879629, KVW8E49ERF, DTXCID901017637, 3-Octen-2-ol, 2-methyl-,(3Z)-, NS00052484, 242-395-4 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-2-methyloct-3-en-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C9H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ACFQKNIZLQUKQA-FPLPWBNLSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -3.973 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.432 |
| Compound Name | (Z)-2-Methyloct-3-en-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 142.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.0455004 |
| Inchi | InChI=1S/C9H18O/c1-4-5-6-7-8-9(2,3)10/h7-8,10H,4-6H2,1-3H3/b8-7- |
| Smiles | CCCC/C=C\C(C)(C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Centipeda Minima (Plant) Rel Props:Source_db:cmaup_ingredients