methyl (2Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)acetate

C8H10O5 — CID 14910323

IUPACmethyl (2Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)acetate
SMILESCOC(=O)/C=C1\OC(C)(C)OC1=O
InChIInChI=1S/C8H10O5/c1-8(2)12-5(7(10)13-8)4-6(9)11-3/h4H,1-3H3/b5-4-
InChIKeyOMZACLIBECOQRD-PLNGDYQASA-N
MW186.16 g/mol
LogP0.35
Rot. Bonds1

About methyl (2Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)acetate

methyl (2Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)acetate (PubChem CID 14910323) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is methyl (2Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)acetate
PubChem CID14910323
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Namemethyl (2Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)acetate
SMILESCOC(=O)/C=C1\OC(C)(C)OC1=O
InChIInChI=1S/C8H10O5/c1-8(2)12-5(7(10)13-8)4-6(9)11-3/h4H,1-3H3/b5-4-
InChIKeyOMZACLIBECOQRD-PLNGDYQASA-N
XLogP0.35
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)acetate (CID 14910323) is methyl (2Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)acetate is COC(=O)/C=C1\OC(C)(C)OC1=O.
What is the InChIKey of methyl (2Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)acetate?
The InChIKey is OMZACLIBECOQRD-PLNGDYQASA-N. The full InChI is InChI=1S/C8H10O5/c1-8(2)12-5(7(10)13-8)4-6(9)11-3/h4H,1-3H3/b5-4-.
What are the key properties of methyl (2Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)acetate?
methyl (2Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)acetate has a molecular weight of 186.16 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)acetate is sourced from PubChem (CID 14910323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).