(Z)-3-Hexenyl lactate

C₉H₁₆O₃CAS 61931-81-5172.22 g/mol

Open in Covalent MOL file

Alcohol Alkene Ester

Properties

Molecular formula: C₉H₁₆O₃
Molar mass: 172.22 g/mol
Exact mass: 172.1099 Da
logP: 1.27Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Identifiers

CAS number

61931-81-5

SMILES

CC/C=CCCOC(=O)C(C)O

InChIKey

NNLLMULULOBXBY-PLNGDYQANA-N

InChI

InChI=1/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5,8,10H,3,6-7H2,1-2H3/b5-4-

Weigh it out

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

Names and synonyms

4 names

Propanoic acid, 2-hydroxy-, (3Z)-3-hexen-1-yl ester
Propanoic acid, 2-hydroxy-, 3-hexenyl ester, (Z)-
Propanoic acid, 2-hydroxy-, (3Z)-3-hexenyl ester
cis-3-Hexenyl lactate

Work with (Z)-3-Hexenyl lactate

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

cis-3-Hexenyl isobutyrate41519-23-769 % similar cis-3-Hexenyl 2-methylbutanoate53398-85-963 % similar Propyl (2S)-2-hydroxypropanoate53651-69-760 % similar Propyl lactate616-09-160 % similar N-Butyl lactate138-22-757 % similar Butyl (2S)-2-hydroxypropanoate34451-19-957 % similar Ethyl lactate687-47-854 % similar Ethyl lactate97-64-354 % 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

Elsewhere

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