for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CCCCCCC(C)(C)C1=CC(=C(C(=C1)OC)C2C=C(C3CC2C3(C)C)CO)OC |
|---|---|
| IUPAC Name | [(1R,4R,5R)-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol |
| InChIKey | CFMRIVODIXTERW-BHIFYINESA-N |
| INCHI | 1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/m1/s1 |
| Isómeros SMILES | CCCCCCC(C)(C)C1=CC(=C(C(=C1)OC)[C@@H]2C=C([C@@H]3C[C@H]2C3(C)C)CO)OC |
| CAS alternativo | 1220887-84-2 |
| PubChem CID | 5311172 |
| Términos de entrada MeSH | bicyclo(3.1.1)hept-2-ene-2-methanol, 4-(4-(1,1-dimethylheptyl)-2,6-dimethoxyphenyl)-6,6-dimethyl-, (1R,4S,5R)-;HU 308;HU 433;HU-308;HU308 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Clase | Prenol lipids |
| Subclass | Monoterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bicyclic monoterpenoids |
| Alternative Parents | Dimethoxybenzenes Aromatic monoterpenoids Phenylpropanes Phenoxy compounds Anisoles Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Aromatic monoterpenoid - Bicyclic monoterpenoid - Pinane monoterpenoid - M-dimethoxybenzene - Dimethoxybenzene - Phenylpropane - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Primary alcohol - Aromatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. |
| External Descriptors | Not available |
| Peso molecular | 414.600 g/mol |
|---|---|
| XLogP3 | 7.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 10 |
| Exact Mass | 414.313 Da |
| Monoisotopic Mass | 414.313 Da |
| Topological Polar Surface Area | 38.700 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 579.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![(1R,4R,5R)-4-[4-(1,1-Dimethylheptyl)-2,6-dimethoxyphenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-methanol , CAS No.1220887-84-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)