methyl (2Z)-2-acetyloxy-2-(4-ethenyl-2-oxooxolan-3-ylidene)acetate

C11H12O6 — CID 135056854

IUPACmethyl (2Z)-2-acetyloxy-2-(4-ethenyl-2-oxooxolan-3-ylidene)acetate
SMILESC=CC1COC(=O)/C1=C(\OC(C)=O)C(=O)OC
InChIInChI=1S/C11H12O6/c1-4-7-5-16-10(13)8(7)9(11(14)15-3)17-6(2)12/h4,7H,1,5H2,2-3H3/b9-8-
InChIKeyHUCPOSRXOYKLTC-HJWRWDBZSA-N
MW240.21 g/mol
LogP0.34
Rot. Bonds3

About methyl (2Z)-2-acetyloxy-2-(4-ethenyl-2-oxooxolan-3-ylidene)acetate

methyl (2Z)-2-acetyloxy-2-(4-ethenyl-2-oxooxolan-3-ylidene)acetate (PubChem CID 135056854) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is methyl (2Z)-2-acetyloxy-2-(4-ethenyl-2-oxooxolan-3-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-acetyloxy-2-(4-ethenyl-2-oxooxolan-3-ylidene)acetate
PubChem CID135056854
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Namemethyl (2Z)-2-acetyloxy-2-(4-ethenyl-2-oxooxolan-3-ylidene)acetate
SMILESC=CC1COC(=O)/C1=C(\OC(C)=O)C(=O)OC
InChIInChI=1S/C11H12O6/c1-4-7-5-16-10(13)8(7)9(11(14)15-3)17-6(2)12/h4,7H,1,5H2,2-3H3/b9-8-
InChIKeyHUCPOSRXOYKLTC-HJWRWDBZSA-N
XLogP0.34
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (2Z)-2-acetyloxy-2-(4-ethenyl-2-oxooxolan-3-ylidene)acetate with MolForge

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Related Compounds

[(1Z)-1-(4-ethenyl-2-oxooxolan-3-ylidene)ethyl] acetate
CID 12098808
[(1Z)-1-(4-ethenyl-2-oxooxolan-3-ylidene)butyl] acetate
CID 12098810
ethyl (4R)-4-methyl-2-oxo-3,4-dihydropyran-6-carboxylate
CID 101518177
[(E)-2-[(3R,4Z)-4-ethylidene-5-oxooxolan-3-yl]ethenyl] acetate
CID 102379200
Qcfbtxzvsarlom-uhfffaoysa-
CID 10487723
(4-acetyloxy-5-oxooxolan-3-yl)methyl (2E,6E)-4,5-diacetyloxyocta-2,6-dienoate
CID 10621604
Mahhmjsxumstse-uhfffaoysa-
CID 10655553
ethyl (2Z)-2-[(3R,4Z)-3-methyl-9-oxo-3,6-dihydro-2H-furo[3,4-b]oxocin-7-ylidene]acetate
CID 76764344
3-(2-methylprop-2-enoxy)-4-prop-2-enyl-2H-furan-5-one
CID 86054326
3-Ethoxy-4-prop-1-en-2-ylfuran-2,5-dione
CID 88516781
(4-Methyl-2-oxooxolan-3-yl) 6-methoxy-4-methylidenehexa-2,5-dienoate
CID 123219782
(4-Methyl-2-oxooxolan-3-yl) 4-methylidenehexa-2,5-dienoate
CID 123354191

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-acetyloxy-2-(4-ethenyl-2-oxooxolan-3-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-acetyloxy-2-(4-ethenyl-2-oxooxolan-3-ylidene)acetate (CID 135056854) is methyl (2Z)-2-acetyloxy-2-(4-ethenyl-2-oxooxolan-3-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-acetyloxy-2-(4-ethenyl-2-oxooxolan-3-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-acetyloxy-2-(4-ethenyl-2-oxooxolan-3-ylidene)acetate is C=CC1COC(=O)/C1=C(\OC(C)=O)C(=O)OC.
What is the InChIKey of methyl (2Z)-2-acetyloxy-2-(4-ethenyl-2-oxooxolan-3-ylidene)acetate?
The InChIKey is HUCPOSRXOYKLTC-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H12O6/c1-4-7-5-16-10(13)8(7)9(11(14)15-3)17-6(2)12/h4,7H,1,5H2,2-3H3/b9-8-.
What are the key properties of methyl (2Z)-2-acetyloxy-2-(4-ethenyl-2-oxooxolan-3-ylidene)acetate?
methyl (2Z)-2-acetyloxy-2-(4-ethenyl-2-oxooxolan-3-ylidene)acetate has a molecular weight of 240.21 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-acetyloxy-2-(4-ethenyl-2-oxooxolan-3-ylidene)acetate is sourced from PubChem (CID 135056854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).