Rose oxide, cis-(-)-
PubChem CID: 1712087
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| Compound Synonyms | 3033-23-6, (-)-cis-rose oxide, l-Rose oxide, Rose oxide, cis-(-)-, 2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-, (2S,4R)-, (2S,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran, M8VU21JU32, (2S,4R)-4-methyl-2-(2-methylprop-1-enyl)oxane, cis-(-)-rose oxide, L-CIS-ROSE OXIDE, EINECS 221-217-9, ROSE OXIDE, CIS-, 2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-, (2S,4R)-, 2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-, (2S-cis)-, (-)-Rose oxide, (4R,2S)-(-)-ROSE OXIDE, 2H-Pyran, l-tetrahydro-4-methyl-2-(2-methylpropenyl)-, rac-(2R,4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane, FEMA NO. 3236, CIS-(-)-, (2S-cis)-Tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran, cis-rose oxide, (2S,4R)-4-METHYL-2-(2-METHYLPROP-1-EN-1-YL)OXANE, 2H-PYRAN, TETRAHYDRO-4-METHYL-2-(2-METHYLPROPENYL)-, (-)-, UNII-M8VU21JU32, (2S,4R)-rose oxide, SCHEMBL111561, DTXSID6051980, CHEBI:90098, CZCBTSFUTPZVKJ-NXEZZACHSA-N, NS00082837, EN300-27126424, Q27162308, (2S,4R)-4-methyl-2-(2-methyl-1-propenyl)tetrahydro-2H-pyran, (-)-(2S,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran, (2S,4R)-(-)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran, 618-036-6 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | C[C@@H]CCO[C@@H]C6)C=CC)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Oxanes |
| Scaffold Graph Node Level | C1CCOCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 145.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,4R)-4-methyl-2-(2-methylprop-1-enyl)oxane |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Scaffold Graph Node Bond Level | C1CCOCC1 |
| Inchi Key | CZCBTSFUTPZVKJ-NXEZZACHSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | cis-rose oxide |
| Esol Class | Soluble |
| Functional Groups | CC(C)=CC, COC |
| Compound Name | Rose oxide, cis-(-)- |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10-/m1/s1 |
| Smiles | C[C@@H]1CCO[C@@H](C1)C=C(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
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