diethyl (2Z)-2-ethylidenebutanedioate

C10H16O4 — CID 6377105

IUPACdiethyl (2Z)-2-ethylidenebutanedioate
SMILESC/C=C(/CC(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H16O4/c1-4-8(10(12)14-6-3)7-9(11)13-5-2/h4H,5-7H2,1-3H3/b8-4-
InChIKeyRETBQDXYPRBNPO-YWEYNIOJSA-N
MW200.23 g/mol
LogP1.45
Rot. Bonds5

About diethyl (2Z)-2-ethylidenebutanedioate

diethyl (2Z)-2-ethylidenebutanedioate (PubChem CID 6377105) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is diethyl (2Z)-2-ethylidenebutanedioate.

Molecular Properties

Compound Namediethyl (2Z)-2-ethylidenebutanedioate
PubChem CID6377105
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namediethyl (2Z)-2-ethylidenebutanedioate
SMILESC/C=C(/CC(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H16O4/c1-4-8(10(12)14-6-3)7-9(11)13-5-2/h4H,5-7H2,1-3H3/b8-4-
InChIKeyRETBQDXYPRBNPO-YWEYNIOJSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.45
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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Related Compounds

carbonic acid;bis(diethyl 2-ethylidenebutanedioate)
CID 175387869
diethyl (2Z)-2-(hydroxymethylidene)butanedioate
CID 6003327
potassium (Z)-4-ethoxy-2-ethoxycarbonyl-4-oxobut-1-en-1-olate
CID 155928082
diethyl 2-(3-methylbutylidene)butanedioate
CID 87709740
ethyl (E)-2-(bromomethyl)but-2-enoate
CID 10910713
diethyl propanedioate;titanium
CID 174779178
diethyl propanedioate;ethane
CID 123991095
diethyl 2-(methoxymethylidene)propanedioate
CID 3016162
diethyl 2-[(4-chlorophenyl)methylidene]butanedioate
CID 85409409
diethyl 2-(ethoxymethylidene)pentanedioate
CID 141443037
triethyl pent-3-ene-1,1,3-tricarboxylate
CID 71335768
butane;diethyl propanedioate
CID 87110467

Frequently Asked Questions

What is the IUPAC name of diethyl (2Z)-2-ethylidenebutanedioate?
The IUPAC name of diethyl (2Z)-2-ethylidenebutanedioate (CID 6377105) is diethyl (2Z)-2-ethylidenebutanedioate.
What is the SMILES notation for diethyl (2Z)-2-ethylidenebutanedioate?
The canonical SMILES for diethyl (2Z)-2-ethylidenebutanedioate is C/C=C(/CC(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl (2Z)-2-ethylidenebutanedioate?
The InChIKey is RETBQDXYPRBNPO-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-8(10(12)14-6-3)7-9(11)13-5-2/h4H,5-7H2,1-3H3/b8-4-.
What are the key properties of diethyl (2Z)-2-ethylidenebutanedioate?
diethyl (2Z)-2-ethylidenebutanedioate has a molecular weight of 200.23 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2Z)-2-ethylidenebutanedioate is sourced from PubChem (CID 6377105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).