chempirical

(Z)-4-[(Tetrahydro-2H-pyran-2-yl)oxy]-2-buten-1-ol

C9H16O3CAS 57323-06-5172.22 g/mol

Open in Covalent MOL file
OOHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C9H16O3
Molar mass
172.22 g/mol
Exact mass
172.1099 Da
logP
1.08Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Double bonds
ZE/Z, in SMILES order

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
57323-06-5
SMILES
C1CCOC(C1)OC/C=C\CO
InChIKey
XHTUEXKSLOJOOC-RQOWECAXSA-N
InChI
InChI=1S/C9H16O3/c10-6-2-4-8-12-9-5-1-3-7-11-9/h2,4,9-10H,1,3,5-8H2/b4-2-

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

Names and synonyms

1 names
  • (Z)-4-(Tetrahydro-2H-pyran-2-yl-oxy)but-2-en-1-ol

Work with (Z)-4-[(Tetrahydro-2H-pyran-2-yl)oxy]-2-buten-1-ol

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

2-(Oxan-2-yloxy)ethan-1-ol2162-31-453 % similar 2-(Allyloxy)tetrahydropyran4203-49-053 % similar 2-(2-Bromoethoxy)tetrahydro-2H-pyran17739-45-644 % similar 2-(3-Bromopropoxy)tetrahydro-2H-pyran33821-94-244 % similar O-(Tetrahydropyran-2-yl)hydroxylamine6723-30-441 % similar Propargyl tetrahydropyranyl ether6089-04-940 % similar 2-(Hydroxymethyl)tetrahydropyran100-72-136 % similar 2-(4-Bromobutyl)-1,3-dioxolane87227-41-636 % similar

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

Same formula

Ethyl tetrahydropyran-4-ylacetate103260-44-2 (1R,4R)-Methyl 4-(hydroxymethyl)cyclohexanecarboxylate110928-44-4 Ethyl α-isopropylacetoacetate1522-46-9 Ethyl pivaloylacetate17094-34-7 Ethyl 4-hydroxycyclohexanecarboxylate17159-80-7 Butyl levulinate2052-15-5 trans-Ethyl 4-hydroxycyclohexanecarboxylate3618-04-0 (Z)-3-Hexenyl lactate61931-81-5

Elsewhere

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