2,7-Dimethyloxepine

C₈H₁₀OCAS 1487-99-6122.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₀O
Molar mass: 122.17 g/mol
Exact mass: 122.0732 Da
logP: 2.38Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1487-99-6

SMILES

CC1=CC=CC=C(O1)C

InChIKey

SFVUIUUSVAMYPP-UHFFFAOYSA-N

InChI

InChI=1S/C8H10O/c1-7-5-3-4-6-8(2)9-7/h3-6H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Oxepin, 2,7-dimethyl-
Oxepine, 2,7-dimethyl-

Reactions

2,7-DIMETHYLOXEPIN (Oxepin, 2,7-dimethyl-)product

Work with 2,7-Dimethyloxepine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Dicyanomethylene-2,6-dimethyl-4H-pyran28286-88-633 % similar Alpha-Angelica lactone591-12-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Methylanisole100-84-5 Ethyl phenyl ether103-73-1 4-Methylanisole104-93-8 2,4-Dimethylphenol105-67-9 3,5-Dimethylphenol108-68-9 4-Ethylphenol123-07-9 Dimethylphenol1300-71-6 1-Phenylethanol13323-81-4

Elsewhere

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