Muskone
PubChem CID: 10947
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| Compound Synonyms | Muscone, 3-Methylcyclopentadecanone, 541-91-3, 3-Methylcyclopentadecan-1-one, MUSKONE, Cyclopentadecanone, 3-methyl-, Methylexaltone, Moschus ketone, dl-muscone, 3-Methyl-1-cyclopentadecanone, (+/-)-Muscone, 5-Methyl-1-cyclopentadecanone, FEMA No. 3434, dextro,laevo-muscone, HSDB 1219, EINECS 208-795-8, 5JO79R7S9R, AI3-38746, MUSKONE [HSDB], 3-methyl-cyclopentadecanone, 956-82-1, DTXSID8052192, MUSCONE, (+/-)-, MFCD00211114, MUSCONE (+/-)-FORM [MI], 3-METHYLCYCLOPENTADECANONE, (+/-)-, 3-METHYL-1-CYCLOPENTADECANONE [FHFI], 22460-48-6, 3-Methylcyclopentadecanone 100 microg/mL in Cyclohexane, UNII-5JO79R7S9R, DL-3-methylcyclopentadecanone, 3-Methylcyclopentadecanone, dl-, L-Muscone, FEMA 3434, Muscone (Standard), Muscone ,(S), 3methylcyclopentadecanone, 3Methyl1cyclopentadecanone, Cyclopentadecanone, 3methyl, SCHEMBL230871, 3-methyl-cyclopentadecan-1-one, MUSCONE (+/-)-FORM, DTXCID3030763, HY-N0633R, HY-N0633, s3871, AKOS015895189, AC-9862, CCG-266866, FM55293, AS-15908, SY050608, CS-0009664, M2611, NS00012873, Q416022, 208-795-8 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCCCCCCCCCCC1 |
| Np Classifier Class | Lactones |
| Deep Smiles | CCCCCCCCCCCCCCC=O)C%15 |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Flavouring ingredient Muscone is an organic compound that is the primary contributor to the odor of musk. |
| Scaffold Graph Node Level | OC1CCCCCCCCCCCCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 198.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylcyclopentadecan-1-one |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 6.2 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H30O |
| Scaffold Graph Node Bond Level | O=C1CCCCCCCCCCCCCC1 |
| Inchi Key | ALHUZKCOMYUFRB-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | (+/-)-muscone, (±)-Muscone, 3-Methyl-1-cyclopentadecanone, 3-Methyl-cyclopentadecanone, 3-Methylcyclopentadecan-1-one, 3-Methylcyclopentadecanone, dl-, 5-Methyl-1-cyclopentadecanone, Cyclopentadecanone, 3-methyl-, DL-3-Methylcyclopentadecanone, DL-Muscone, Exaltone, FEMA 3434, Methylexaltone, Moschus ketone, Muscone, Muskone, 3-Methylcyclopentadecanone, muscone |
| Esol Class | Moderately soluble |
| Functional Groups | CC(C)=O |
| Compound Name | Muskone |
| Kingdom | Organic compounds |
| Exact Mass | 238.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 238.41 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3 |
| Smiles | CC1CCCCCCCCCCCCC(=O)C1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Cyclic ketones |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Archangelica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699855