methyl (2E)-2-(2-acetyl-2-methoxy-5,5-dimethyl-1,3-dioxolan-4-ylidene)acetate

C11H16O6 — CID 11402276

IUPACmethyl (2E)-2-(2-acetyl-2-methoxy-5,5-dimethyl-1,3-dioxolan-4-ylidene)acetate
SMILESCOC(=O)/C=C1/OC(OC)(C(C)=O)OC1(C)C
InChIInChI=1S/C11H16O6/c1-7(12)11(15-5)16-8(6-9(13)14-4)10(2,3)17-11/h6H,1-5H3/b8-6+
InChIKeyXROMGPGIVQLKPP-SOFGYWHQSA-N
MW244.24 g/mol
LogP0.76
Rot. Bonds3

About methyl (2E)-2-(2-acetyl-2-methoxy-5,5-dimethyl-1,3-dioxolan-4-ylidene)acetate

methyl (2E)-2-(2-acetyl-2-methoxy-5,5-dimethyl-1,3-dioxolan-4-ylidene)acetate (PubChem CID 11402276) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is methyl (2E)-2-(2-acetyl-2-methoxy-5,5-dimethyl-1,3-dioxolan-4-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-(2-acetyl-2-methoxy-5,5-dimethyl-1,3-dioxolan-4-ylidene)acetate
PubChem CID11402276
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Namemethyl (2E)-2-(2-acetyl-2-methoxy-5,5-dimethyl-1,3-dioxolan-4-ylidene)acetate
SMILESCOC(=O)/C=C1/OC(OC)(C(C)=O)OC1(C)C
InChIInChI=1S/C11H16O6/c1-7(12)11(15-5)16-8(6-9(13)14-4)10(2,3)17-11/h6H,1-5H3/b8-6+
InChIKeyXROMGPGIVQLKPP-SOFGYWHQSA-N
XLogP0.76
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(2-acetyl-2-methoxy-5,5-dimethyl-1,3-dioxolan-4-ylidene)acetate?
The IUPAC name of methyl (2E)-2-(2-acetyl-2-methoxy-5,5-dimethyl-1,3-dioxolan-4-ylidene)acetate (CID 11402276) is methyl (2E)-2-(2-acetyl-2-methoxy-5,5-dimethyl-1,3-dioxolan-4-ylidene)acetate.
What is the SMILES notation for methyl (2E)-2-(2-acetyl-2-methoxy-5,5-dimethyl-1,3-dioxolan-4-ylidene)acetate?
The canonical SMILES for methyl (2E)-2-(2-acetyl-2-methoxy-5,5-dimethyl-1,3-dioxolan-4-ylidene)acetate is COC(=O)/C=C1/OC(OC)(C(C)=O)OC1(C)C.
What is the InChIKey of methyl (2E)-2-(2-acetyl-2-methoxy-5,5-dimethyl-1,3-dioxolan-4-ylidene)acetate?
The InChIKey is XROMGPGIVQLKPP-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H16O6/c1-7(12)11(15-5)16-8(6-9(13)14-4)10(2,3)17-11/h6H,1-5H3/b8-6+.
What are the key properties of methyl (2E)-2-(2-acetyl-2-methoxy-5,5-dimethyl-1,3-dioxolan-4-ylidene)acetate?
methyl (2E)-2-(2-acetyl-2-methoxy-5,5-dimethyl-1,3-dioxolan-4-ylidene)acetate has a molecular weight of 244.24 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(2-acetyl-2-methoxy-5,5-dimethyl-1,3-dioxolan-4-ylidene)acetate is sourced from PubChem (CID 11402276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).