methyl 2-(1,3-dioxolan-2-ylidene)acetate

C6H8O4 — CID 134987232

IUPACmethyl 2-(1,3-dioxolan-2-ylidene)acetate
SMILESCOC(=O)C=C1OCCO1
InChIInChI=1S/C6H8O4/c1-8-5(7)4-6-9-2-3-10-6/h4H,2-3H2,1H3
InChIKeyPQWGCYJTYKHRDO-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.05
Rot. Bonds1

About methyl 2-(1,3-dioxolan-2-ylidene)acetate

methyl 2-(1,3-dioxolan-2-ylidene)acetate (PubChem CID 134987232) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is methyl 2-(1,3-dioxolan-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(1,3-dioxolan-2-ylidene)acetate
PubChem CID134987232
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Namemethyl 2-(1,3-dioxolan-2-ylidene)acetate
SMILESCOC(=O)C=C1OCCO1
InChIInChI=1S/C6H8O4/c1-8-5(7)4-6-9-2-3-10-6/h4H,2-3H2,1H3
InChIKeyPQWGCYJTYKHRDO-UHFFFAOYSA-N
XLogP0.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(1,3-dioxolan-2-ylidene)acetate?
The IUPAC name of methyl 2-(1,3-dioxolan-2-ylidene)acetate (CID 134987232) is methyl 2-(1,3-dioxolan-2-ylidene)acetate.
What is the SMILES notation for methyl 2-(1,3-dioxolan-2-ylidene)acetate?
The canonical SMILES for methyl 2-(1,3-dioxolan-2-ylidene)acetate is COC(=O)C=C1OCCO1.
What is the InChIKey of methyl 2-(1,3-dioxolan-2-ylidene)acetate?
The InChIKey is PQWGCYJTYKHRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-8-5(7)4-6-9-2-3-10-6/h4H,2-3H2,1H3.
What are the key properties of methyl 2-(1,3-dioxolan-2-ylidene)acetate?
methyl 2-(1,3-dioxolan-2-ylidene)acetate has a molecular weight of 144.13 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-dioxolan-2-ylidene)acetate is sourced from PubChem (CID 134987232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).