6,10,10-Trimethyl-2-methylenebicyclo(7.2.0)undec-5-en-3-ol
PubChem CID: 6437586
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| Compound Synonyms | EINECS 227-925-4, 6040-49-9, 6,10,10-Trimethyl-2-methylenebicyclo(7.2.0)undec-5-en-3-ol, 6,10,10-TRIMETHYL-2-METHYLENEBICYCLO[7.2.0]UNDEC-5-EN-3-OL, 487-87-6, VMVYOFDWHSLKNP-POHAHGRESA-N, NS00045430, 227-925-4 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCCCC2CCC12 |
| Np Classifier Class | Caryophyllane sesquiterpenoids |
| Deep Smiles | C/C=C/CCO)C=C)CCCC9))CC4)C)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCCCCCC2CCC12 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 324.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undec-5-en-3-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24O |
| Scaffold Graph Node Bond Level | C=C1CCC=CCCC2CCC12 |
| Inchi Key | VMVYOFDWHSLKNP-POHAHGRESA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | caryophylla-3(12),6-dien-4-ol |
| Esol Class | Soluble |
| Functional Groups | C/C=C(/C)C, C=C(C)C, CO |
| Compound Name | 6,10,10-Trimethyl-2-methylenebicyclo(7.2.0)undec-5-en-3-ol |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24O/c1-10-5-7-13-12(9-15(13,3)4)11(2)14(16)8-6-10/h6,12-14,16H,2,5,7-9H2,1,3-4H3/b10-6- |
| Smiles | C/C/1=C/CC(C(=C)C2CC(C2CC1)(C)C)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Reference:ISBN:9788185042114