4-Ethynyltetrahydro-2H-py...

C₇H₁₀OCAS 1202245-65-5110.16 g/mol

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Alkyne Ether

Properties

Molecular formula: C₇H₁₀O
Molar mass: 110.16 g/mol
Exact mass: 110.0732 Da
logP: 1.05Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor66.7% of notifiers
H301 Toxic if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1202245-65-5

SMILES

C#CC1CCOCC1

InChIKey

BMYOVGRZKOKXMG-UHFFFAOYSA-N

InChI

InChI=1S/C7H10O/c1-2-7-3-5-8-6-4-7/h1,7H,3-6H2

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Names and synonyms

1 names

4-Ethynyloxane

Work with 4-Ethynyltetrahydro-2H-py...

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

Cyclopropylacetylene6746-94-761 % similar Tetrahydro-2H-pyran-4-carbonitrile4295-99-248 % similar 4-Bromotetrahydropyran25637-16-541 % similar Oxolane-3-carbonitrile14631-44-838 % similar 4-Chlorotetrahydro-2H-pyran1768-64-535 % similar Tetrahydro-4H-pyran-4-ol2081-44-935 % similar 4-Iodotetrahydro-2H-pyran25637-18-735 % similar 4-Aminotetrahydropyran38041-19-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tetrahydrobenzaldehyde100-50-5 Dicyclopropyl ketone1121-37-5 2-Cyclohepten-1-one1121-66-0 1-Cyclohexene-1-carboxaldehyde1192-88-7 3-Methyl-2-cyclohexen-1-one1193-18-6 5-Norbornen-2-ol13080-90-5 1-Ethynylcyclopentanol17356-19-3 4,4-Dimethyl-2-cyclopenten-1-one22748-16-9

Elsewhere

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