methyl 2-(oxolan-3-ylidene)acetate

C7H10O3 — CID 91943006

IUPACmethyl 2-(oxolan-3-ylidene)acetate
SMILESCOC(=O)C=C1CCOC1
InChIInChI=1S/C7H10O3/c1-9-7(8)4-6-2-3-10-5-6/h4H,2-3,5H2,1H3
InChIKeyMWGFZEHLGGOCCA-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.51
Rot. Bonds1

About methyl 2-(oxolan-3-ylidene)acetate

methyl 2-(oxolan-3-ylidene)acetate (PubChem CID 91943006) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is methyl 2-(oxolan-3-ylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(oxolan-3-ylidene)acetate
PubChem CID91943006
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namemethyl 2-(oxolan-3-ylidene)acetate
SMILESCOC(=O)C=C1CCOC1
InChIInChI=1S/C7H10O3/c1-9-7(8)4-6-2-3-10-5-6/h4H,2-3,5H2,1H3
InChIKeyMWGFZEHLGGOCCA-UHFFFAOYSA-N
XLogP0.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(oxolan-3-ylidene)acetate?
The IUPAC name of methyl 2-(oxolan-3-ylidene)acetate (CID 91943006) is methyl 2-(oxolan-3-ylidene)acetate.
What is the SMILES notation for methyl 2-(oxolan-3-ylidene)acetate?
The canonical SMILES for methyl 2-(oxolan-3-ylidene)acetate is COC(=O)C=C1CCOC1.
What is the InChIKey of methyl 2-(oxolan-3-ylidene)acetate?
The InChIKey is MWGFZEHLGGOCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-9-7(8)4-6-2-3-10-5-6/h4H,2-3,5H2,1H3.
What are the key properties of methyl 2-(oxolan-3-ylidene)acetate?
methyl 2-(oxolan-3-ylidene)acetate has a molecular weight of 142.15 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxolan-3-ylidene)acetate is sourced from PubChem (CID 91943006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).