dimethyl 2-methylidene-3-(oxiran-2-ylmethyl)butanedioate

C10H14O5 — CID 88688907

IUPACdimethyl 2-methylidene-3-(oxiran-2-ylmethyl)butanedioate
SMILESC=C(C(=O)OC)C(CC1CO1)C(=O)OC
InChIInChI=1S/C10H14O5/c1-6(9(11)13-2)8(10(12)14-3)4-7-5-15-7/h7-8H,1,4-5H2,2-3H3
InChIKeyCWFUKZITWLPVCX-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.29
Rot. Bonds5

About dimethyl 2-methylidene-3-(oxiran-2-ylmethyl)butanedioate

dimethyl 2-methylidene-3-(oxiran-2-ylmethyl)butanedioate (PubChem CID 88688907) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is dimethyl 2-methylidene-3-(oxiran-2-ylmethyl)butanedioate.

Molecular Properties

Compound Namedimethyl 2-methylidene-3-(oxiran-2-ylmethyl)butanedioate
PubChem CID88688907
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namedimethyl 2-methylidene-3-(oxiran-2-ylmethyl)butanedioate
SMILESC=C(C(=O)OC)C(CC1CO1)C(=O)OC
InChIInChI=1S/C10H14O5/c1-6(9(11)13-2)8(10(12)14-3)4-7-5-15-7/h7-8H,1,4-5H2,2-3H3
InChIKeyCWFUKZITWLPVCX-UHFFFAOYSA-N
XLogP0.29
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methylidene-3-(oxiran-2-ylmethyl)butanedioate?
The IUPAC name of dimethyl 2-methylidene-3-(oxiran-2-ylmethyl)butanedioate (CID 88688907) is dimethyl 2-methylidene-3-(oxiran-2-ylmethyl)butanedioate.
What is the SMILES notation for dimethyl 2-methylidene-3-(oxiran-2-ylmethyl)butanedioate?
The canonical SMILES for dimethyl 2-methylidene-3-(oxiran-2-ylmethyl)butanedioate is C=C(C(=O)OC)C(CC1CO1)C(=O)OC.
What is the InChIKey of dimethyl 2-methylidene-3-(oxiran-2-ylmethyl)butanedioate?
The InChIKey is CWFUKZITWLPVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-6(9(11)13-2)8(10(12)14-3)4-7-5-15-7/h7-8H,1,4-5H2,2-3H3.
What are the key properties of dimethyl 2-methylidene-3-(oxiran-2-ylmethyl)butanedioate?
dimethyl 2-methylidene-3-(oxiran-2-ylmethyl)butanedioate has a molecular weight of 214.22 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methylidene-3-(oxiran-2-ylmethyl)butanedioate is sourced from PubChem (CID 88688907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).