2-Methyl-6-methylene-7-octen-4-ol
PubChem CID: 85712
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| Compound Synonyms | 2-Methyl-6-methyleneoct-7-en-4-ol, 14314-21-7, 2-methyl-6-methylideneoct-7-en-4-ol, Ipsenol, 2-Methyl-6-methylene-7-octen-4-ol, 60894-96-4, (S)-(-)-Ipsenol, A529BY94X9, EINECS 238-254-1, 7-Octen-4-ol, 2-methyl-6-methylene-, (S)-, DTXSID50865782, 7-Octen-4-ol, 2-methyl-6-methylene-, (-)-, 7-Octen-4-ol, 2-methyl-6-methylene-, EINECS 262-518-5, (1)-2-Methyl-6-methyleneoct-7-en-4-ol, SCHEMBL379143, UNII-A529BY94X9, DTXCID00814149, AKOS006228473, FI44952, BS-45950, CS-0337268, NS00055314, (+/-)-2-Methyl-6-methylene-7-octen-4-ol, E75133, 238-254-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | C=CC=C)CCCCC)C)))O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-6-methylideneoct-7-en-4-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Inchi Key | RHAXCOKCIAVHPB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | ipsenol |
| Esol Class | Soluble |
| Functional Groups | C=CC(=C)C, CO |
| Compound Name | 2-Methyl-6-methylene-7-octen-4-ol |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O/c1-5-9(4)7-10(11)6-8(2)3/h5,8,10-11H,1,4,6-7H2,2-3H3 |
| Smiles | CC(C)CC(CC(=C)C=C)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Cupressus Torulosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2013.775677 - 2. Outgoing r'ship
FOUND_INto/from Tagetes Erecta (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699115