chempirical

4-Ethynyltetrahydro-2H-py...

C7H10OCAS 1202245-65-5110.16 g/mol

Open in Covalent MOL file
O
AlkyneEther

Properties

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

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-Chlorotetrahydro-2H-pyran1768-64-535 % similar Tetrahydro-2H-pyran-4-ol2081-44-935 % similar Diisoamyl ether544-01-435 % similar 4-(Iodomethyl)tetrahydro-2H-pyran101691-94-532 % similar (S)-3-Aminotetrahydrofuran104530-79-232 % similar (R)-3-Aminotetrahydrofuran111769-26-732 % 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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