4-Methoxy-α,α-dimethyl-1,4-cyclohexadiene-1-methanol

C₁₀H₁₆O₂CAS 61597-37-3168.24 g/mol

Open in Covalent MOL file

Alcohol Alkene Ether

Properties

Molecular formula: C₁₀H₁₆O₂
Molar mass: 168.24 g/mol
Exact mass: 168.1150 Da
Boiling point: 128–130 °C (at 16 Torr)
logP: 2.01Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

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

61597-37-3

SMILES

COC1=CCC(C(C)(C)O)=CC1

InChIKey

XMKIECVHJJJPDQ-UHFFFAOYSA-N

InChI

InChI=1S/C10H16O2/c1-10(2,11)8-4-6-9(12-3)7-5-8/h4,7,11H,5-6H2,1-3H3

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Names and synonyms

2 names

1,4-Cyclohexadiene-1-methanol, 4-methoxy-α,α-dimethyl-
2-(4-Methoxycyclohexa-1,4-dien-1-yl)propan-2-ol

Work with 4-Methoxy-α,α-dimethyl-1,4-cyclohexadiene-1-methanol

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

1,4,5,8-Tetrahydro-2,7-dimethoxynaphthalene1614-82-038 % similar Methyl alpha-hydroxyisobutyrate2110-78-338 % similar 1-Methoxycyclohexene931-57-731 % similar

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

Same formula

Cyclohexyl methacrylate101-43-9 Ethyl 2-octynoate10519-20-7 Methyl 2-nonynoate111-80-8 Ethyl cyclohexylideneacetate1552-92-7 1-Methylcyclopentyl methacrylate178889-45-7 (1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one1845-25-6 (1R,2R,5R)-(+)-2-Hydroxy-3-pinanone24047-72-1 2-Propenoic acid 1-ethylcyclopentyl ester326925-69-3

Elsewhere

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