methyl (Z)-2-acetyloxyhex-2-enoate

C9H14O4 — CID 101425208

IUPACmethyl (Z)-2-acetyloxyhex-2-enoate
SMILESCCC/C=C(\OC(C)=O)C(=O)OC
InChIInChI=1S/C9H14O4/c1-4-5-6-8(9(11)12-3)13-7(2)10/h6H,4-5H2,1-3H3/b8-6-
InChIKeyFLKAHYIYDPUHQJ-VURMDHGXSA-N
MW186.21 g/mol
LogP1.41
Rot. Bonds4

About methyl (Z)-2-acetyloxyhex-2-enoate

methyl (Z)-2-acetyloxyhex-2-enoate (PubChem CID 101425208) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl (Z)-2-acetyloxyhex-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-acetyloxyhex-2-enoate
PubChem CID101425208
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Namemethyl (Z)-2-acetyloxyhex-2-enoate
SMILESCCC/C=C(\OC(C)=O)C(=O)OC
InChIInChI=1S/C9H14O4/c1-4-5-6-8(9(11)12-3)13-7(2)10/h6H,4-5H2,1-3H3/b8-6-
InChIKeyFLKAHYIYDPUHQJ-VURMDHGXSA-N
XLogP1.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Di-O-acetylkojic acid
CID 96492
Diethyl 4-oxopyran-2,6-dicarboxylate
CID 316274
dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate
CID 830685
3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester
CID 3010941
methyl 4-methyl-2-oxo-2H-pyran-6-carboxylate
CID 2739565
5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester
CID 3010939
[(Z)-3-acetyloxy-4-oxopent-2-enyl] acetate
CID 44566756
Dimethyl 2-methoxymaleate
CID 11332755
Methyl 4,5-dihydrofuran-2-carboxylate
CID 12483585
diethyl (E)-2-ethoxybut-2-enedioate
CID 6376033
Fumaric acid, dimethyl ester, 2-methoxy-
CID 5366068
3-Methoxy-5-methyl-2(5h)-furanone
CID 14813848

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-acetyloxyhex-2-enoate?
The IUPAC name of methyl (Z)-2-acetyloxyhex-2-enoate (CID 101425208) is methyl (Z)-2-acetyloxyhex-2-enoate.
What is the SMILES notation for methyl (Z)-2-acetyloxyhex-2-enoate?
The canonical SMILES for methyl (Z)-2-acetyloxyhex-2-enoate is CCC/C=C(\OC(C)=O)C(=O)OC.
What is the InChIKey of methyl (Z)-2-acetyloxyhex-2-enoate?
The InChIKey is FLKAHYIYDPUHQJ-VURMDHGXSA-N. The full InChI is InChI=1S/C9H14O4/c1-4-5-6-8(9(11)12-3)13-7(2)10/h6H,4-5H2,1-3H3/b8-6-.
What are the key properties of methyl (Z)-2-acetyloxyhex-2-enoate?
methyl (Z)-2-acetyloxyhex-2-enoate has a molecular weight of 186.21 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-acetyloxyhex-2-enoate is sourced from PubChem (CID 101425208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).