1-Methyl-2-((2-methylbenzyl)oxy)-4-(propan-2-yl)-7-oxabicyclo(2.2.1)heptane
Basic information
- CAS
1245807-70-8- Standard SMILES
Cc1ccccc1COC1CC2(C(C)C)CCC1(C)O2- InChIKey
QMTNOLKHSWIQBE-UHFFFAOYSA-N- Molecular formula
- C18H26O2
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.19328007
Overview
1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane is an oxabicycloalkane that is 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-ol in which the hydroxy group is substituted by a (2-methylphenyl)methoxy group. It is a cineole, an ether and an oxabicycloalkane.
Names & identifiers
- Preferred name
- 1-Methyl-2-((2-methylbenzyl)oxy)-4-(propan-2-yl)-7-oxabicyclo(2.2.1)heptane
- IUPAC
- 1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
Names & synonyms
DTXSID2048111CHEBI:1455621245807-70-81-Methyl-2-((2-methylbenzyl)oxy)-4-(propan-2-yl)-7-oxabicyclo(2.2.1)heptane1-Methyl-2-((2-methylbenzyl)oxy)-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptaneRefChem:1055748DTXCID502808399827-45-91-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane1-methyl-2-[(2-methylphenyl)methoxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptaneSCHEMBL55251
Show more names
MFCD01632785AKOS015918290NCGC00164469-02NCGC00164469-03DB-057027NS000019134-isopropyl-1-methyl-2-(o-tolylmethoxy)-7-oxabicyclo[2.2.1]heptane7-Oxabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)-2-((2-methylphenyl)methoxy)-, labeled with carbon-14, exo-
Database identifiers
- CAS
1245807-70-8、99827-45-9- PubChem CID
- 188653
- DTXSID
DTXSID2048111- ChEBI
CHEBI:145562
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Experimental & physicochemical properties
LogP3.83
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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