dimethyl 2-prop-2-enoxypropanedioate

C8H12O5 — CID 15122316

IUPACdimethyl 2-prop-2-enoxypropanedioate
SMILESC=CCOC(C(=O)OC)C(=O)OC
InChIInChI=1S/C8H12O5/c1-4-5-13-6(7(9)11-2)8(10)12-3/h4,6H,1,5H2,2-3H3
InChIKeyMMINQWWOTONABG-UHFFFAOYSA-N
MW188.18 g/mol
LogP-0.10
Rot. Bonds5

About dimethyl 2-prop-2-enoxypropanedioate

dimethyl 2-prop-2-enoxypropanedioate (PubChem CID 15122316) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is dimethyl 2-prop-2-enoxypropanedioate.

Molecular Properties

Compound Namedimethyl 2-prop-2-enoxypropanedioate
PubChem CID15122316
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Namedimethyl 2-prop-2-enoxypropanedioate
SMILESC=CCOC(C(=O)OC)C(=O)OC
InChIInChI=1S/C8H12O5/c1-4-5-13-6(7(9)11-2)8(10)12-3/h4,6H,1,5H2,2-3H3
InChIKeyMMINQWWOTONABG-UHFFFAOYSA-N
XLogP-0.10
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-prop-2-enoxypropanedioate?
The IUPAC name of dimethyl 2-prop-2-enoxypropanedioate (CID 15122316) is dimethyl 2-prop-2-enoxypropanedioate.
What is the SMILES notation for dimethyl 2-prop-2-enoxypropanedioate?
The canonical SMILES for dimethyl 2-prop-2-enoxypropanedioate is C=CCOC(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-prop-2-enoxypropanedioate?
The InChIKey is MMINQWWOTONABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-4-5-13-6(7(9)11-2)8(10)12-3/h4,6H,1,5H2,2-3H3.
What are the key properties of dimethyl 2-prop-2-enoxypropanedioate?
dimethyl 2-prop-2-enoxypropanedioate has a molecular weight of 188.18 g/mol, XLogP of -0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-prop-2-enoxypropanedioate is sourced from PubChem (CID 15122316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).