2-Methyl-6-methylene-2,7-octadien-4-ol
PubChem CID: 85734
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| Compound Synonyms | 2-Methyl-6-methyleneocta-2,7-dien-4-ol, 14434-41-4, 2-Methyl-6-methylene-2,7-octadien-4-ol, 2-methyl-6-methylideneocta-2,7-dien-4-ol, (+/-)-Ipsdienol, 54809-53-9, 2,7-Octadien-4-ol, 2-methyl-6-methylene-, (S)-, ( inverted exclamation markA)-Ipsdienol, (S)-ipsdienol, (+-)-Ipsdienol, an ipsdienol, (-)-ipsdienol, EINECS 238-408-8, (+-)-2-Methyl-6-methylene-2,7-octadien-4-ol, SCHEMBL854900, 2,7-Octadien-4-ol, 2-methyl-6-methylene-, (+-)-, DTXSID90865781, KCA89497, HY-W613915, BS-48310, FI166780, DB-048852, CS-0697844, NS00054150, E75337, 2-Methyl-6-methylene-2,7-octadien-4-ol, 2-Methyl-6-methyleneocta-2,7-dien-4-ol, 2-Methyl-6-methylene-2,7-octadien-4-ol (ACI), (+/-)-Ipsdienol, 2-Methyl-6-methylideneocta-2,7-dien-4-ol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | C=CC=C)CCC=CC)C)))O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 173.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-6-methylideneocta-2,7-dien-4-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Inchi Key | NHMKYUHMPXBMFI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2-methyl-6-meth ylene- 2,7-0ctadien-4-01, ipsdienol |
| Esol Class | Soluble |
| Functional Groups | C=CC(=C)C, CC=C(C)C, CO |
| Compound Name | 2-Methyl-6-methylene-2,7-octadien-4-ol |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| 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/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5-6,10-11H,1,4,7H2,2-3H3 |
| Smiles | CC(=CC(CC(=C)C=C)O)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
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FOUND_INto/from Daucus Carota (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643630 - 3. Outgoing r'ship
FOUND_INto/from Laurus Nobilis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699624 - 4. Outgoing r'ship
FOUND_INto/from Lippia Alba (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1309 - 5. Outgoing r'ship
FOUND_INto/from Mentha Piperita (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1487343 - 6. Outgoing r'ship
FOUND_INto/from Morina Longifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1437782 - 7. Outgoing r'ship
FOUND_INto/from Ocimum Gratissimum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1487343 - 8. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1487343